Ligand |
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| Ligand Name: 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide | ||
| HET ID: E5H | PubChem: 9405885 | |
| DrugBank: - | ChEMBL: CHEMBL4277357 | |
| Canonical SMILES: C1CCN(CC1)CCCNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3 | ||
| Standard InChI: InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25) | ||
| Molecular Formula: C22H28N2O2 | Mol. Weight: 352.4699 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 4.0534 |
| HBD: 1 | HBA: 4 | TPSA: 41.57 |
| #Bonds: 28 | #Rotatable Bonds: 9 | Shape Complexity: 0.4090909 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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