P687
| Id | 687 |
| Inchikey | NGTMRIIMIQXHAF-MRVPVSSYSA-N |
| Smiles | Cn1cncc1-c1nnc([C@H]2CCCCN2)o1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.950465 |
| Binding_energy | -30.987692 |
| Ligand_energy | 28.648533301359265 |
| Placement | Placement_688 "DNV2_NS5A-x0866 w/ C688" |