P666
Id | 666 |
Inchikey | RXYWUMKGERGUKH-UHFFFAOYSA-N |
Smiles | O=C(CCCc1nccs1)Nc1c[nH]nc1-c1ccccc1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.936556 |
Binding_energy | -41.634935 |
Ligand_energy | 60.090023610811045 |
Placement | Placement_667 "DNV2_NS5A-x0160 w/ C667" |