P664
| Id | 664 |
| Inchikey | KJKAAYQWGIVSOZ-UHFFFAOYSA-N |
| Smiles | CC1CCN(CC(=O)NCC=Cc2cccnc2)CC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 1.813037 |
| Binding_energy | -46.7338 |
| Ligand_energy | 53.43291077860382 |
| Placement | Placement_665 "DNV2_NS5A-x0472 w/ C665" |