Compound ID | Docking Scores | Binding Affinities (kcal/mol) | Binding Energies (kcal/mol) | Lipinski Role of Five | |||
---|---|---|---|---|---|---|---|
H-bond donor | H-bond acceptor | Log P | Molecular Weight (g/mol) | ||||
NPC6836 | −5.3173 | −7.01 | −49.04 | 7 | 12 | −2.35 | 448.42 |
NPC227485 | −4.5465 | −5.92 | −42.94 | 9 | 11 | −0.69 | 424.36 |
NPC227980 | −5.4021 | −6.81 | −47.63 | 6 | 12 | −1.80 | 446.40 |
SANC00619 | −4.8770 | −6.79 | −45.40 | 02 | 08 | 7.52 | 548.76 |
Zrl15 | −4.518 | −4.96 | −28.40 | 2 | 2 | −0.80 | 214.24 |