P451
| Id | 451 |
| Inchikey | RRZHRALLRAPVBH-UHFFFAOYSA-N |
| Smiles | CC(C)(CCNCc1ccc[nH]1)N1CCNCC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.996791 |
| Binding_energy | -35.343534 |
| Ligand_energy | 23.42109667095447 |
| Placement | Placement_451 "DNV2_NS5A-x0472 w/ C451" |