P781
| Id | 781 |
| Inchikey | RHGXKFKNZMJLLI-UHFFFAOYSA-N |
| Smiles | COCCNC(=O)CN(C)c1ccc(-c2ccncc2)cn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 1.912154 |
| Binding_energy | -10.188756 |
| Ligand_energy | 96.7783861508074 |
| Placement | Placement_782 "DNV2_NS5A-x0191 w/ C782" |