Ligand |
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| Ligand Name: 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one | ||
| HET ID: EHE | PubChem: 66510155 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1cc(=O)n(nc1c1ccccc1)C1CCNCC1 | ||
| Standard InChI: InChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3 | ||
| Molecular Formula: C16H19N3O | Mol. Weight: 269.34155 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 2.472 |
| HBD: 1 | HBA: 4 | TPSA: 46.92 |
| #Bonds: 22 | #Rotatable Bonds: 2 | Shape Complexity: 0.375 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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