Ligand |
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| Ligand Name: 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine | ||
| HET ID: 0VC | PubChem: 56951495 | |
| DrugBank: - | ChEMBL: CHEMBL2024094 | |
| Canonical SMILES: COCC[C@H]1C[C@@H]1c1cncc(c1)OC[C@@H]1CCN1 | ||
| Standard InChI: InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1 | ||
| Molecular Formula: C15H22N2O2 | Mol. Weight: 262.34738 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: 2.2911 |
| HBD: 1 | HBA: 4 | TPSA: 43.38 |
| #Bonds: 24 | #Rotatable Bonds: 7 | Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
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