P707
Id | 707 |
Inchikey | GNIAMKSLLNSZRD-UHFFFAOYSA-N |
Smiles | O=C(CCCn1cccc1)NCc1ccc(-n2ccnc2)nc1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.995421 |
Binding_energy | -45.149604 |
Ligand_energy | 42.50157182868017 |
Placement | Placement_708 "DNV2_NS5A-x0472 w/ C708" |