Ligand |
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| Ligand Name: (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol | ||
| HET ID: M5E | PubChem: 12628020 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1CC(NC1)C(C2=CC=CC=C2)O | ||
| Standard InChI: InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2 | ||
| Molecular Formula: C11H15NO | Mol. Weight: 177.2429 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: True | logP: 1.8008 |
| HBD: 2 | HBA: 2 | TPSA: 32.26 |
| #Bonds: 14 | #Rotatable Bonds: 2 | Shape Complexity: 0.45454547 |
| Stereocomplexity: 0.18181819 | Ligand Type: Small Molecule | |
Binding Affinity |
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