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Ligand Download |
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| 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 | ||