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Ligand Download |
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| Ligand Name: (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] | ||
| HET ID: PQY | PubChem: 145946115 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1CN(CCN(C1)CCNC(=O)C=NO)CCNC(=O)C=NO | ||
| Standard InChI: InChI=1S/C13H24N6O4/c20-12(10-16-22)14-2-6-18-4-1-5-19(9-8-18)7-3-15-13(21)11-17-23/h10-11,22-23H,1-9H2,(H,14,20)(H,15,21) | ||
| Molecular Formula: C13H24N6O4 | Mol. Weight: 328.36746 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: -1.1959 |
| HBD: 4 | HBA: 10 | TPSA: 129.86 |
| #Bonds: 23 | #Rotatable Bonds: 10 | Shape Complexity: 0.6923077 |
| Stereocomplexity: 0.0 | ||