Ligand |
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| Ligand Name: N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide | ||
| HET ID: C7 | PubChem: 146014938 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ONC(=O)CCc1ccccc1NC(=O)c1cccc(c1)C(F)(F)F | ||
| Standard InChI: InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23) | ||
| Molecular Formula: C17H15F3N2O3 | Mol. Weight: 352.3078 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 3.8596 |
| HBD: 3 | HBA: 5 | TPSA: 78.43 |
| #Bonds: 26 | #Rotatable Bonds: 8 | Shape Complexity: 0.1764706 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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