P746
| Id | 746 |
| Inchikey | GEAOQYLHMSKZNR-ZDUSSCGKSA-N |
| Smiles | C=CCNC(=O)c1ccc(N2CC[C@H](c3ccn[nH]3)C2)nc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.91179 |
| Binding_energy | -53.57873 |
| Ligand_energy | 60.99967741485936 |
| Placement | Placement_747 "DNV2_NS5A-x0160 w/ C747" |