P444
| Id | 444 |
| Inchikey | DXXDRBQJWQVNAY-NSHDSACASA-N |
| Smiles | CCn1cncc1CN(C)C(=O)[C@@H]1C=CCN1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.918813 |
| Binding_energy | -67.816144 |
| Ligand_energy | 14.834618386818512 |
| Placement | Placement_444 "DNV2_NS5A-x0866 w/ C444" |