P433
| Id | 433 |
| Inchikey | UGPMJSLBUHWQSO-UHFFFAOYSA-N |
| Smiles | c1cc(NCCCNCc2ncc[nH]2)ccn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.9153 |
| Binding_energy | -18.922116 |
| Ligand_energy | 22.588510585997724 |
| Placement | Placement_433 "DNV2_NS5A-x0472 w/ C428" |