P449
| Id | 449 |
| Inchikey | GNANYFCMXGSEQF-VIFPVBQESA-N |
| Smiles | CN(Cc1cncn1C)C(=O)[C@@H]1CCN1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.986725 |
| Binding_energy | -138.427197 |
| Ligand_energy | 37.007575048130704 |
| Placement | Placement_449 "DNV2_NS5A-x0866 w/ C449" |