P432
Id | 432 |
Inchikey | NKWIUEXWXTXNHS-WDEREUQCSA-N |
Smiles | O=C1CC[C@H](CN2CCC[C@H](c3ccn[nH]3)C2)C(=O)N1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.753243 |
Binding_energy | -47.877951 |
Ligand_energy | 23.11923135256584 |
Placement | Placement_432 "DNV2_NS5A-x0851 w/ C432" |