 |
| 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 |
Ligand Type: Small Molecule |