P468
| Id | 468 |
| Inchikey | HBBMJTRCBIBKHL-UHFFFAOYSA-N |
| Smiles | O=C(O)c1cc(S(=O)(=O)N(CCCO)Cc2ccccn2)c[nH]1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.920938 |
| Binding_energy | -50.73148 |
| Ligand_energy | 47.53885350168204 |
| Placement | Placement_468 "DNV2_NS5A-x0264 w/ C468" |