P698
| Id | 698 |
| Inchikey | IIZANSIZQDRZIS-UHFFFAOYSA-N |
| Smiles | COC(=O)Cc1ncc(-c2cccnc2)[nH]1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.997497 |
| Binding_energy | -17.579155 |
| Ligand_energy | 23.84457959421612 |
| Placement | Placement_699 "DNV2_NS5A-x0472 w/ C699" |