 |
| Ligand Name:
2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) |
| HET ID: SCK |
PubChem:
5314
|
| DrugBank: DB00202 |
ChEMBL: CHEMBL703 |
| Canonical SMILES: O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C |
| Standard InChI: InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2 |
| Molecular Formula: C14H30N2O4++ |
Mol. Weight: 290.399 |
Heavy Atoms: 20 |
| Charge: 2 |
Is Chiral: False |
logP: 0.2654 |
| HBD: 0 |
HBA: 4 |
TPSA: 52.6 |
| #Bonds: 19 |
#Rotatable Bonds: 11 |
Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |