zincid
stringlengths 8
16
| smiles
stringlengths 9
107
| dockscore
float64 -118.83
39.4
| id
stringlengths 12
12
| scaffold
stringlengths 5
102
⌀ | mwt
float64 249
349
| clogp
float64 -5.12
4.16
| tpsa
float64 0
234
|
|---|---|---|---|---|---|---|---|
ZINC000187671782 | Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)no1 | -38.28 | SCB-92290300 | O=C(NCC1CCCCC1)C(=O)Nc1ccon1 | 349.124941 | 1.52132 | 104.46 |
ZINC000354517032 | CCOCCC1(CNCCCc2ccc(C)nc2)CC1 | -16.38 | SCB-11185363 | c1cncc(CCCNCC2CC2)c1 | 276.220164 | 3.11902 | 34.15 |
ZINC000371785411 | COc1ccc(C(=O)N2CCCN(CCCCO)CC2)cc1 | -25.99 | SCB-15135359 | O=C(c1ccccc1)N1CCCNCC1 | 306.194343 | 1.6156 | 53.01 |
ZINC000371785414 | COCCCCNC(=O)C(=O)N1C[C@@H](CC(=O)OC)c2ccccc21 | -50.48 | SCB-56715599 | c1ccc2c(c1)CCN2 | 348.168522 | 1.2227 | 84.94 |
ZINC000371785415 | COCCCCNC(=O)C(=O)N1C[C@H](CC(=O)OC)c2ccccc21 | -29.26 | SCB-44219229 | c1ccc2c(c1)CCN2 | 348.168522 | 1.2227 | 84.94 |
ZINC000567813995 | C[C@H](O)CN1CCN(C(=O)Nc2c(F)cccc2Cl)[C@@H](C)C1 | -34.69 | SCB-26054865 | O=C(Nc1ccccc1)N1CCNCC1 | 329.130633 | 2.3979 | 55.81 |
ZINC000522676989 | C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(C#N)cn1 | -28.55 | SCB-55382771 | O=C(NCc1ccccc1CN1CCCCC1)c1ccccn1 | 348.195011 | 3.25768 | 69.02 |
ZINC000522676988 | C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(C#N)cn1 | -29.57 | SCB-10796355 | O=C(NCc1ccccc1CN1CCCCC1)c1ccccn1 | 348.195011 | 3.25768 | 69.02 |
ZINC000522676984 | CCOc1ccc(N(CC)C(=O)c2ccc(C#N)cn2)cc1 | -35.91 | SCB-12792991 | O=C(Nc1ccccc1)c1ccccn1 | 295.132077 | 3.01868 | 66.22 |
ZINC000187671786 | CC(=O)Nc1ccc(C)c(C(=O)NCc2c[nH]nc2C)c1 | -43.54 | SCB-98125274 | O=C(NCc1cn[nH]c1)c1ccccc1 | 286.142976 | 1.91494 | 86.88 |
ZINC000373788668 | CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1)c1ccccc1 | -39.25 | SCB-90136706 | O=C1C[C@@H](C(=O)Nc2ccccc2)[C@@H](c2cn[nH]c2)N1 | 312.158626 | 1.6025 | 58.44 |
ZINC000450017028 | CC[C@@H](NC(=O)Cc1ccccc1O[C@@H]1CCOC1)C1CCOCC1 | -24.05 | SCB-11566819 | O=C(Cc1ccccc1O[C@@H]1CCOC1)NCC1CCOCC1 | 347.209658 | 2.7182 | 56.79 |
ZINC000119446228 | CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCN1CC(C)C | -1.09 | SCB-38997713 | C1CCNC1 | 347.224263 | 1.1869 | 78.51 |
ZINC000373788662 | CN(Cc1cn2c(n1)CCCC2)C(=O)NCCc1cc(F)cc(F)c1 | -35.4 | SCB-89041542 | O=C(NCCc1ccccc1)NCc1cn2c(n1)CCCC2 | 348.176168 | 2.8817 | 50.16 |
ZINC000450017021 | CC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 | -39.41 | SCB-35342215 | O=C(Nc1cccc(-n2nnnc2C2CC2)c1)C1CC1 | 315.149538 | 2.6634 | 72.7 |
ZINC000021959512 | Cc1nc(-c2ccc(CNC(=O)C3=NN(C)C(=O)CC3)s2)cs1 | -35.08 | SCB-10080439 | O=C1CCC(C(=O)NCc2ccc(-c3cscn3)s2)=NN1 | 348.071468 | 2.40442 | 74.66 |
ZINC000334762702 | C[C@H]1C[C@H](C)N1C(=O)NC1CCC(C(F)(F)F)CC1 | -21.36 | SCB-64541497 | O=C(NC1CCCCC1)N1CCC1 | 278.160598 | 3.2998 | 32.34 |
ZINC000334762700 | C[C@@H]1C[C@@H](C)N1C(=O)NC1CCC(C(F)(F)F)CC1 | -22.03 | SCB-35564735 | O=C(NC1CCCCC1)N1CCC1 | 278.160598 | 3.2998 | 32.34 |
ZINC000106781880 | COC(=O)[C@@H](CNC(=O)c1ccc(C)nc1C)Cc1cccc(C)c1 | -39.12 | SCB-98606078 | O=C(NCCCc1ccccc1)c1cccnc1 | 340.178693 | 2.76856 | 68.29 |
ZINC000334762706 | C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)CCCO1 | -35.28 | SCB-94401615 | O=C(c1cc(C2CC2)[nH]n1)N1CCCOCC1 | 263.163377 | 1.5485 | 47.36 |
ZINC000334762707 | CN(CC1(O)CCC1)C(=O)Nc1ccc(Cl)cc1F | -36.4 | SCB-31034536 | O=C(NCC1CCC1)Nc1ccccc1 | 286.088434 | 2.8578 | 52.57 |
ZINC000334762705 | C[C@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)CCCO1 | -32.46 | SCB-61411397 | O=C(c1cc(C2CC2)[nH]n1)N1CCCOCC1 | 263.163377 | 1.5485 | 47.36 |
ZINC000172361233 | Cc1cc(C)cc(OCCNC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 | -45.39 | SCB-53647216 | O=C(NCCOc1ccccc1)NCCc1cnoc1 | 345.205242 | 3.21748 | 76.39 |
ZINC000570300635 | O=C(NC[C@H]1CCCO1)c1cnnn1Cc1ccccc1 | -44.49 | SCB-57029636 | O=C(NC[C@H]1CCCO1)c1cnnn1Cc1ccccc1 | 286.142976 | 1.2352 | 69.04 |
ZINC000570300636 | O=C(NC[C@@H]1CCCO1)c1cnnn1Cc1ccccc1 | -45.05 | SCB-23743613 | O=C(NC[C@@H]1CCCO1)c1cnnn1Cc1ccccc1 | 286.142976 | 1.2352 | 69.04 |
ZINC000570300630 | O=S(=O)(NCCc1nnc(-c2ccccc2)o1)N1CCC1 | -36.11 | SCB-95942771 | O=S(=O)(NCCc1nnc(-c2ccccc2)o1)N1CCC1 | 308.094311 | 0.8192 | 88.33 |
ZINC000172361236 | Cc1cc(C)cc(OCCNC(=O)N[C@H](C)Cc2c(C)noc2C)c1 | -41.27 | SCB-94244471 | O=C(NCCOc1ccccc1)NCCc1cnoc1 | 345.205242 | 3.21748 | 76.39 |
ZINC000570300632 | Cc1nnc([C@H](C)NCc2ccc3c(c2)OC(F)(F)O3)o1 | -35.02 | SCB-60947317 | c1nnc(CNCc2ccc3c(c2)OCO3)o1 | 297.092498 | 2.55032 | 69.41 |
ZINC000370540601 | Cc1ccnc(N[C@H]2CCN(C(=O)c3ccncc3)C2)n1 | -39.41 | SCB-78634642 | O=C(c1ccncc1)N1CC[C@H](Nc2ncccn2)C1 | 283.14331 | 1.50662 | 71.01 |
ZINC000370540600 | Cc1ccnc(N[C@@H]2CCN(C(=O)c3ccncc3)C2)n1 | -31.08 | SCB-79446892 | O=C(c1ccncc1)N1CC[C@@H](Nc2ncccn2)C1 | 283.14331 | 1.50662 | 71.01 |
ZINC000427115885 | Cc1c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cnn1C | -51.13 | SCB-95002476 | O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1cn[nH]c1 | 335.130363 | 2.85072 | 73.22 |
ZINC000408093742 | CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 | -23.69 | SCB-10441730 | O=C([C@H]1CCCN1)N1CCn2cnnc2C1 | 333.216475 | 1.3907 | 71.33 |
ZINC000519589649 | CN(C)[C@@H](CNC(=O)NC[C@@H]1NCCCC1(C)C)c1cccs1 | -15.2 | SCB-72762191 | O=C(NCCc1cccs1)NC[C@H]1CCCCN1 | 338.214033 | 2.4282 | 56.4 |
ZINC000415965571 | C[C@@]1(CO)CCC[C@H]1NC(=O)Nc1ccc2c(c1)CNCCO2 | -17.12 | SCB-61006744 | O=C(Nc1ccc2c(c1)CNCCO2)NC1CCCC1 | 319.189592 | 1.8412 | 82.62 |
ZINC000415965579 | CC[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H](O)CC | -13.14 | SCB-12997995 | c1ccc2c(c1)CNCCO2 | 307.189592 | 1.8396 | 82.62 |
ZINC000425448475 | COc1ccccc1O[C@@H](C)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 | -26.59 | SCB-53337168 | O=C(NCCOc1ccccc1)NC1CCCC1 | 317.173942 | 2.45398 | 83.38 |
ZINC000271403040 | CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn2cc(Br)cnc12 | -25.9 | SCB-27026099 | O=C(NC1CCCC1)c1cnn2cccnc12 | 336.058573 | 2.8003 | 59.29 |
ZINC000556936688 | CCc1ncsc1NC(=O)c1nc(C2CC2)oc1C | -30.7 | SCB-18971912 | O=C(Nc1cncs1)c1coc(C2CC2)n1 | 277.088498 | 3.13162 | 68.02 |
ZINC000172534191 | CC(C)[C@H](Cc1ccccc1)C(=O)NCCN1CCOC(C)(C)C1 | -24.01 | SCB-51554315 | O=C(CCc1ccccc1)NCCN1CCOCC1 | 332.246378 | 2.7283 | 41.57 |
ZINC000271403049 | Cc1cc(S(=O)(=O)NC(C)(C)C(C)(C)O)ccc1OC(C)C | -24.86 | SCB-16276699 | c1ccccc1 | 329.166079 | 2.61002 | 75.63 |
ZINC000375471896 | CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CC(CO)C2)C12CCC2 | -29.72 | SCB-37553337 | O=C(N[C@H]1CCC12CCC2)N1CCC1 | 268.178693 | 0.8237 | 61.8 |
ZINC000375471897 | O=C1CC[C@@H](NC(=O)Nc2ncccc2N2CCOCC2)C(=O)N1 | -26.47 | SCB-63340524 | O=C1CC[C@@H](NC(=O)Nc2ncccc2N2CCOCC2)C(=O)N1 | 333.143704 | -0.1551 | 112.66 |
ZINC000153038675 | C[C@@H](C(=O)N1CCCN(C)c2ccc(F)cc21)C1CCOCC1 | -27.1 | SCB-10202786 | O=C(CC1CCOCC1)N1CCCNc2ccccc21 | 320.190006 | 3.0613 | 32.78 |
ZINC000375471895 | O=C1CC[C@H](NC(=O)Nc2ncccc2N2CCOCC2)C(=O)N1 | -23.19 | SCB-70857672 | O=C1CC[C@H](NC(=O)Nc2ncccc2N2CCOCC2)C(=O)N1 | 333.143704 | -0.1551 | 112.66 |
ZINC000375471898 | CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N2CC(CO)C2)C12CCC2 | -26.55 | SCB-47607937 | O=C(N[C@@H]1CCC12CCC2)N1CCC1 | 268.178693 | 0.8237 | 61.8 |
ZINC000375471899 | CSC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1 | -29.64 | SCB-58525417 | O=C(C1CC1)N1CCCC1 | 296.080633 | 1.0042 | 63.4 |
ZINC000155413653 | CCOC(=O)Cc1nnc(NC(=O)NC[C@H]2CCCC[C@@H]2C)s1 | -37.85 | SCB-63307526 | O=C(NCC1CCCCC1)Nc1nncs1 | 340.156912 | 2.5915 | 93.21 |
ZINC000344054138 | CC(=O)NC1CCC(N(C)CCCOCC(F)(F)F)CC1 | -12.99 | SCB-96484984 | C1CCCCC1 | 310.186813 | 2.3345 | 41.57 |
ZINC000517387644 | C[C@@]1(N)CCCC[C@H]1C(=O)NCCN1CCCC1=O | -14.09 | SCB-38582991 | O=C(NCCN1CCCC1=O)C1CCCCC1 | 267.194677 | 0.6326 | 75.43 |
ZINC000517387647 | CCn1c(C(=O)N2CCNC[C@H]2C)cc2ccccc21 | -40.94 | SCB-75711475 | O=C(c1cc2ccccc2[nH]1)N1CCNCC1 | 271.168462 | 2.0951 | 37.27 |
ZINC000517387641 | C[C@@]1(N)CCCC[C@@H]1C(=O)NCCN1CCCC1=O | -11.82 | SCB-10204319 | O=C(NCCN1CCCC1=O)C1CCCCC1 | 267.194677 | 0.6326 | 75.43 |
ZINC000517387643 | C[C@]1(N)CCCC[C@@H]1C(=O)NCCN1CCCC1=O | -15.53 | SCB-87205710 | O=C(NCCN1CCCC1=O)C1CCCCC1 | 267.194677 | 0.6326 | 75.43 |
ZINC000517387642 | C[C@]1(N)CCCC[C@H]1C(=O)NCCN1CCCC1=O | -17.6 | SCB-46357215 | O=C(NCCN1CCCC1=O)C1CCCCC1 | 267.194677 | 0.6326 | 75.43 |
ZINC000018167598 | COc1ccc(/C=N/[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 | -36.74 | SCB-56693373 | C(=N/CCc1ccccc1)\c1ccccc1 | 330.121572 | 2.1168 | 105.19 |
ZINC000355285769 | CO[C@]1(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)CCOC1 | -21.34 | SCB-31614723 | O=C(NC1CCCCC1)C1CCOC1 | 255.183444 | 1.829 | 38.77 |
ZINC000355285768 | CO[C@]1(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)CCOC1 | -20.16 | SCB-46905900 | O=C(NC1CCCCC1)C1CCOC1 | 255.183444 | 1.829 | 38.77 |
ZINC000355285767 | C[C@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 | -35.22 | SCB-58262222 | O=C1C[C@H](C(=O)NCc2ccc(-n3cncn3)cc2)c2ccccc21 | 346.142976 | 2.8147 | 76.88 |
ZINC000355285766 | C[C@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 | -32.65 | SCB-97490383 | O=C1C[C@@H](C(=O)NCc2ccc(-n3cncn3)cc2)c2ccccc21 | 346.142976 | 2.8147 | 76.88 |
ZINC000355285765 | CCOC(=O)[C@H]1CC[C@H](NC(=O)CCCn2c(C)cc(=O)cc2C)C1 | -31.98 | SCB-82637259 | O=C(CCCn1ccc(=O)cc1)NC1CCCC1 | 348.204907 | 2.09334 | 77.4 |
ZINC000355285764 | Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C[C@H]1C[C@H]1C | -35.3 | SCB-34661050 | O=C(CC1CC1)Nc1ccc(OCCN2CCNC2=O)cc1 | 331.189592 | 2.38362 | 70.67 |
ZINC000355285763 | C[C@@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 | -44.5 | SCB-74532049 | O=C1C[C@@H](C(=O)NCc2ccc(-n3cncn3)cc2)c2ccccc21 | 346.142976 | 2.8147 | 76.88 |
ZINC000355285762 | Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C[C@@H]1C[C@H]1C | -35.84 | SCB-40080165 | O=C(CC1CC1)Nc1ccc(OCCN2CCNC2=O)cc1 | 331.189592 | 2.38362 | 70.67 |
ZINC000355285761 | C[C@@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 | -32.62 | SCB-42284678 | O=C1C[C@H](C(=O)NCc2ccc(-n3cncn3)cc2)c2ccccc21 | 346.142976 | 2.8147 | 76.88 |
ZINC000355285760 | Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C[C@@H]1C[C@@H]1C | -43.39 | SCB-11206041 | O=C(CC1CC1)Nc1ccc(OCCN2CCNC2=O)cc1 | 331.189592 | 2.38362 | 70.67 |
ZINC000174133289 | CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 | -23.63 | SCB-74967019 | O=C(NCc1ccccc1)N1CC[C@@H](N2CC=CC2)C1 | 342.241962 | 2.6885 | 38.82 |
ZINC000263927392 | COC(=O)C1(NC(=O)c2cc(C)ccc2F)CCCCC1 | -30.83 | SCB-65464458 | O=C(NC1CCCCC1)c1ccccc1 | 293.142722 | 2.73982 | 55.4 |
ZINC000174133287 | COC(C)(C)CNC(=O)c1cccc(CS(C)(=O)=O)c1 | -31.63 | SCB-68654692 | c1ccccc1 | 299.119129 | 1.386 | 72.47 |
ZINC000174133281 | Cc1ccc(OCc2nc(-c3ccoc3)no2)cn1 | -29.8 | SCB-43248122 | c1cncc(OCc2nc(-c3ccoc3)no2)c1 | 257.080041 | 2.61202 | 74.18 |
ZINC000450017029 | CC[C@H](NC(=O)Cc1ccccc1O[C@H]1CCOC1)C1CCOCC1 | -23.85 | SCB-10581506 | O=C(Cc1ccccc1O[C@H]1CCOC1)NCC1CCOCC1 | 347.209658 | 2.7182 | 56.79 |
ZINC000378310574 | C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 | -22.8 | SCB-10762051 | O=C(N[C@H]1CCOC1)[C@H]1CCCN1c1ncnc2ccccc12 | 326.174276 | 1.8922 | 67.35 |
ZINC000378310575 | C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 | -26.94 | SCB-61136279 | O=C(N[C@@H]1CCOC1)[C@H]1CCCN1c1ncnc2ccccc12 | 326.174276 | 1.8922 | 67.35 |
ZINC000378310576 | C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 | -25.05 | SCB-10708303 | O=C(N[C@H]1CCOC1)[C@@H]1CCCN1c1ncnc2ccccc12 | 326.174276 | 1.8922 | 67.35 |
ZINC000378310573 | C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 | -27.31 | SCB-10477050 | O=C(N[C@@H]1CCOC1)[C@@H]1CCCN1c1ncnc2ccccc12 | 326.174276 | 1.8922 | 67.35 |
ZINC000471688281 | CC(C)n1nc2c(c1NC(=O)CSC[C@@H]1CCCCO1)CCC2 | -33.38 | SCB-93382547 | O=C(CSC[C@@H]1CCCCO1)Nc1[nH]nc2c1CCC2 | 337.182398 | 3.1935 | 56.15 |
ZINC000187717087 | CCn1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@]2(C)C(C)C)nc1C | -38.68 | SCB-11002882 | O=C(NS(=O)(=O)c1c[nH]cn1)C1CC1 | 313.146013 | 1.69852 | 81.06 |
ZINC000267235400 | CCC[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(F)c(F)c1 | -35.59 | SCB-21326420 | c1ccccc1 | 314.144199 | 1.3619 | 78.43 |
ZINC000187717088 | Cc1ccc(-n2nc(NC(=O)N3C[C@@H](O)C[C@H]3CO)cc2C)cc1 | -28.42 | SCB-10677466 | O=C(Nc1ccn(-c2ccccc2)n1)N1CCCC1 | 330.169191 | 1.44854 | 90.62 |
ZINC000094052387 | CN1C[C@@H](Nc2ncc(Cl)cc2F)CCC1=O | -28.9 | SCB-10033299 | O=C1CC[C@H](Nc2ccccn2)CN1 | 257.073118 | 1.9068 | 45.23 |
ZINC000094052386 | CN1C[C@H](Nc2ncc(Cl)cc2F)CCC1=O | -31.72 | SCB-50194940 | O=C1CC[C@@H](Nc2ccccn2)CN1 | 257.073118 | 1.9068 | 45.23 |
ZINC000119446225 | COCc1nc(COc2ccc(C(C)=O)cc2Cl)no1 | -30.74 | SCB-42444421 | c1ccc(OCc2ncon2)cc1 | 296.056385 | 2.651 | 74.45 |
ZINC000030901661 | Cc1nn(C)c(C)c1CNCc1cccnc1N1CCOCC1 | -33.03 | SCB-73265010 | c1cnc(N2CCOCC2)c(CNCc2cn[nH]c2)c1 | 315.20591 | 1.55834 | 55.21 |
ZINC000450017027 | CC[C@H](NC(=O)Cc1ccccc1O[C@@H]1CCOC1)C1CCOCC1 | -27.26 | SCB-98470878 | O=C(Cc1ccccc1O[C@@H]1CCOC1)NCC1CCOCC1 | 347.209658 | 2.7182 | 56.79 |
ZINC000081967445 | Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)COCc2ccccc2)n1 | -39.84 | SCB-43513367 | O=C(Cn1cccn1)NCCCOCc1ccccc1 | 331.189592 | 1.53604 | 67.59 |
ZINC000081967444 | Cc1cc(C)n(CC(=O)N(C)C[C@H](O)COCc2ccccc2)n1 | -33.46 | SCB-30350293 | O=C(Cn1cccn1)NCCCOCc1ccccc1 | 331.189592 | 1.53604 | 67.59 |
ZINC000419650918 | CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H]2CN)cc1 | -23.97 | SCB-68333592 | O=C(NCc1ccccc1)C(=O)N1CCCC1 | 349.182398 | 2.314 | 75.43 |
ZINC000537837251 | CSc1cc(CN=c2[nH]c(-c3cccnc3)nc3c2CCC3)ccn1 | -41.36 | SCB-89478666 | c1cncc(-c2nc3c(c(=NCc4ccncc4)[nH]2)CCC3)c1 | 349.136117 | 3.1782 | 66.82 |
ZINC000164922424 | CN(C(=O)C1(O)CCSCC1)[C@@H]1CCCN(c2cccnn2)C1 | -29.87 | SCB-41513668 | O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1CCSCC1 | 336.161997 | 1.1619 | 69.56 |
ZINC000419650914 | CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]2CN)cc1 | -23.28 | SCB-20812804 | O=C(NCc1ccccc1)C(=O)N1CCCC1 | 349.182398 | 2.314 | 75.43 |
ZINC000419650916 | CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]2CN)cc1 | -20.24 | SCB-27185424 | O=C(NCc1ccccc1)C(=O)N1CCCC1 | 349.182398 | 2.314 | 75.43 |
ZINC000272146943 | C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] | -25.1 | SCB-64055138 | O=C(NCc1ccccc1)[C@@H]1CCCN1C1CCOCC1 | 347.184506 | 2.4154 | 84.71 |
ZINC000346564520 | COCc1noc(CSCc2ccc(SC)cc2)n1 | -34.77 | SCB-35165175 | c1ccc(CSCc2ncno2)cc1 | 296.06532 | 3.3713 | 48.15 |
ZINC000346564522 | COc1ccc2[nH]c(C(=O)N=c3cc(C)n([C@@H](C)C4CC4)[nH]3)cc2c1 | -36.56 | SCB-62720641 | O=C(N=c1ccn(CC2CC2)[nH]1)c1cc2ccccc2[nH]1 | 338.174276 | 3.32662 | 75.17 |
ZINC000346564524 | COCc1noc(CSCc2cccc(C#N)c2F)n1 | -38.18 | SCB-64207072 | c1ccc(CSCc2ncno2)cc1 | 293.063426 | 2.66018 | 71.94 |
ZINC000346564526 | COCc1noc(CSCC(=O)N2CCC[C@@H](NC(C)=O)C2)n1 | -37.06 | SCB-29382118 | O=C(CSCc1ncno1)N1CCCCC1 | 342.136176 | 0.5763 | 97.56 |
ZINC000346564529 | COCCC1(C(=O)N[C@H](C)CCC2CC2)CCCC1 | -24.03 | SCB-42575832 | O=C(NCCCC1CC1)C1CCCC1 | 267.219829 | 3.2782 | 38.33 |
ZINC000346564528 | COCc1noc(CSCC(=O)N2CCC[C@H](NC(C)=O)C2)n1 | -32.74 | SCB-21815573 | O=C(CSCc1ncno1)N1CCCCC1 | 342.136176 | 0.5763 | 97.56 |
ZINC000550306002 | C[C@@H]1CN(Cc2nnnn2Cc2ccccc2)[C@@H]1C | -38.18 | SCB-10009526 | c1ccc(Cn2nnnc2CN2CCC2)cc1 | 257.164046 | 1.5616 | 46.84 |
ZINC000550306001 | C[C@H]1CN(Cc2nnnn2Cc2ccccc2)[C@H]1C | -38.96 | SCB-94009512 | c1ccc(Cn2nnnc2CN2CCC2)cc1 | 257.164046 | 1.5616 | 46.84 |
ZINC000550306000 | C[C@@H]1[C@@H](C)CN1Cc1nnnn1Cc1ccccc1 | -38.57 | SCB-82566228 | c1ccc(Cn2nnnc2CN2CCC2)cc1 | 257.164046 | 1.5616 | 46.84 |
ZINC000350617105 | Cc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)n(C)n1 | -33.77 | SCB-61957855 | O=C(Nc1ccn[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 | 348.176168 | 2.82442 | 50.16 |