Ligand |
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| Ligand Name: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | ||
| HET ID: QTM | PubChem: 154573621 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NCCc1cc(ccc1Oc1ccc(c(c1)Cl)F)S(=O)(=O)N | ||
| Standard InChI: InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20) | ||
| Molecular Formula: C14H14ClFN2O3S | Mol. Weight: 344.78897 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 4.9014 |
| HBD: 2 | HBA: 5 | TPSA: 103.79 |
| #Bonds: 23 | #Rotatable Bonds: 5 | Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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