Ligand |
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| Ligand Name: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide | ||
| HET ID: M7Y | PubChem: 146014939 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ONC(=O)/C=C/c1ccccc1N1C(=O)N(CC1(C)C)C1CCCC1 | ||
| Standard InChI: InChI=1S/C19H25N3O3/c1-19(2)13-21(15-8-4-5-9-15)18(24)22(19)16-10-6-3-7-14(16)11-12-17(23)20-25/h3,6-7,10-12,15,25H,4-5,8-9,13H2,1-2H3,(H,20,23)/b12-11+ | ||
| Molecular Formula: C19H25N3O3 | Mol. Weight: 343.4201 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 3.5622 |
| HBD: 2 | HBA: 6 | TPSA: 72.88 |
| #Bonds: 27 | #Rotatable Bonds: 5 | Shape Complexity: 0.47368422 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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