SMILES: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)C1=CN(CC(OC(C)C)=O)C(C)=C(C(=O)C)[C@H]1C)Cc1ccccc1
pIC50 (BACE-1 inhibition): 4.5833597
Molecular weight: 578.71899
AlogP: 1.7449
H-bond acceptors: 6
H-bond donors: 3
Rotatable bonds: 15
Heavy atom count: 42
Chiral centers: 3
Ring count: 3
Polar surface area: 121.78