Ligand |
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| Ligand Name: ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide | ||
| HET ID: FJ8 | PubChem: 145945994 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC1=CC=C(C=C1)C=NNC(=O)CC2=NNN=N2 | ||
| Standard InChI: InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17) | ||
| Molecular Formula: C11H12N6O | Mol. Weight: 244.25258 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 0.5918 |
| HBD: 2 | HBA: 6 | TPSA: 95.92 |
| #Bonds: 19 | #Rotatable Bonds: 5 | Shape Complexity: 0.18181819 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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