P493
Id | 493 |
Inchikey | JAASKDYHISXSBC-UHFFFAOYSA-N |
Smiles | CC(=O)NCCN(Cc1ccccc1)C(=O)c1cccnc1O |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.938583 |
Binding_energy | -29.239325 |
Ligand_energy | 129.56578607343357 |
Placement | Placement_493 "DNV2_NS5A-x0472 w/ C493" |