Ligand |
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| Ligand Name: N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide | ||
| HET ID: M8G | PubChem: 122514056 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ONC(=O)/C=C/c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 | ||
| Standard InChI: InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+ | ||
| Molecular Formula: C22H18N2O4 | Mol. Weight: 374.3893 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: False | logP: 4.7137 |
| HBD: 3 | HBA: 6 | TPSA: 87.66 |
| #Bonds: 30 | #Rotatable Bonds: 8 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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