Ligand |
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| Ligand Name: (2R)-hydroxy(phenyl)ethanenitrile | ||
| HET ID: MXN | PubChem: 9548674 | |
| DrugBank: - | ChEMBL: CHEMBL1234541 | |
| Canonical SMILES: O[C@H](c1ccccc1)C#N | ||
| Standard InChI: InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1 | ||
| Molecular Formula: C8H7NO | Mol. Weight: 133.14728 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: True | logP: 1.24358 |
| HBD: 1 | HBA: 2 | TPSA: 44.02 |
| #Bonds: 11 | #Rotatable Bonds: 1 | Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
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