P824
| Id | 824 |
| Inchikey | KUUOTEMBQDIXRU-UHFFFAOYSA-N |
| Smiles | N#Cc1cc(C(=O)OCCN2CCCCC2)c[nH]1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.911206 |
| Binding_energy | -29.207815 |
| Ligand_energy | 17.811690715162975 |
| Placement | Placement_825 "DNV2_NS5A-x0472 w/ C825" |