Ligand |
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| Ligand Name: 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one | ||
| HET ID: HNM | PubChem: 439476 | |
| DrugBank: - | ChEMBL: CHEMBL1615006 | |
| Canonical SMILES: CNCCCC(=O)c1ccc(nc1)O | ||
| Standard InChI: InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14) | ||
| Molecular Formula: C10H14N2O2 | Mol. Weight: 194.23036 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 1.3604 |
| HBD: 2 | HBA: 4 | TPSA: 62.22 |
| #Bonds: 14 | #Rotatable Bonds: 5 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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