SMILES: O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1
pIC50 (BACE-1 inhibition): 6.2291479
Molecular weight: 408.495
AlogP: 4.9268999
H-bond acceptors: 2
H-bond donors: 2
Rotatable bonds: 7
Heavy atom count: 31
Chiral centers: 0
Ring count: 4
Polar surface area: 72.940002