Ligand |
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| Ligand Name: 5-[2-hydroxyethyl(propyl)amino]pentan-1-ol | ||
| HET ID: 96E | PubChem: 3264478 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCCCCCN(CCO)CCC | ||
| Standard InChI: InChI=1S/C10H23NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h12-13H,2-10H2,1H3 | ||
| Molecular Formula: C10H23NO2 | Mol. Weight: 189.29512 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: False | logP: 0.8533 |
| HBD: 2 | HBA: 3 | TPSA: 43.7 |
| #Bonds: 12 | #Rotatable Bonds: 9 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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