Ligand |
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| Ligand Name: (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine | ||
| HET ID: IM4 | PubChem: 135541675 | |
| DrugBank: DB07980 | ChEMBL: CHEMBL406819 | |
| Canonical SMILES: [O-][N+](=O)/N=C/1NCCN1Cc1ccc(nc1)Cl | ||
| Standard InChI: InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) | ||
| Molecular Formula: C9H10ClN5O2 | Mol. Weight: 255.661 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 1.4778 |
| HBD: 1 | HBA: 4 | TPSA: 86.34 |
| #Bonds: 18 | #Rotatable Bonds: 3 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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