Ligand |
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| Ligand Name: 3,5-dimethylpyrazin-2(1H)-one | ||
| HET ID: QOS | PubChem: 13123639 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1nc(C)c[nH]c1=O | ||
| Standard InChI: InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9) | ||
| Molecular Formula: C6H8N2O | Mol. Weight: 124.14052 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: False | logP: 0.3867 |
| HBD: 1 | HBA: 2 | TPSA: 45.75 |
| #Bonds: 10 | #Rotatable Bonds: 0 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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