Ligand |
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| Ligand Name: 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol | ||
| HET ID: RM0 | PubChem: 135567430 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1COCCN1CCCCCC2=NC(=C(C=C2)O)C=NO | ||
| Standard InChI: InChI=1S/C15H23N3O3/c19-15-6-5-13(17-14(15)12-16-20)4-2-1-3-7-18-8-10-21-11-9-18/h5-6,12,19-20H,1-4,7-11H2 | ||
| Molecular Formula: C15H23N3O3 | Mol. Weight: 293.36142 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: False | logP: 1.5782 |
| HBD: 2 | HBA: 6 | TPSA: 78.18 |
| #Bonds: 22 | #Rotatable Bonds: 7 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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