P676
| Id | 676 |
| Inchikey | ZJXXRVIHPNHLIS-UHFFFAOYSA-N |
| Smiles | O=C(NCc1ccccn1)c1cccn1C1CCNCC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.998121 |
| Binding_energy | -33.512455 |
| Ligand_energy | 44.7538184258331 |
| Placement | Placement_677 "DNV2_NS5A-x0472 w/ C677" |