Ligand |
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| Ligand Name: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide | ||
| HET ID: PQV | PubChem: 6415778 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O/N=C/C(=O)NCCN1CCCCCC1 | ||
| Standard InChI: InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+ | ||
| Molecular Formula: C10H19N3O2 | Mol. Weight: 213.27676 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 0.7674 |
| HBD: 2 | HBA: 5 | TPSA: 64.93 |
| #Bonds: 15 | #Rotatable Bonds: 5 | Shape Complexity: 0.8 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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