SMILES: O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1
pIC50 (BACE-1 inhibition): 4.0030508
Molecular weight: 296.32379
AlogP: 0.87709999
H-bond acceptors: 5
H-bond donors: 0
Rotatable bonds: 2
Heavy atom count: 22
Chiral centers: 2
Ring count: 4
Polar surface area: 82.620003