Ligand |
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| Ligand Name: ETHYL DIMETHYL AMMONIO PROPANE SULFONATE | ||
| HET ID: NDS | PubChem: 5221296 | |
| DrugBank: DB02618 | ChEMBL: CHEMBL1234674 | |
| Canonical SMILES: CC[N+](CCCS(=O)(=O)[O-])(C)C | ||
| Standard InChI: InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3 | ||
| Molecular Formula: C7H17NO3S | Mol. Weight: 195.27979 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 1.0988 |
| HBD: 0 | HBA: 3 | TPSA: 65.58 |
| #Bonds: 11 | #Rotatable Bonds: 5 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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