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CHEMDIV-ZINC00247566

MMsINC code: MMs00845911

Type: Neutral
Formula: C12H9ClFNO2S
SMILES:   Clc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C12H9ClFNO2S/c13-11-3-1-2-4-12(11)15-18(16,17)10-7-5-9(14)6-8-10/h1-8,15H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=42.3546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.726 g/mol  logS: -4.07599  SlogP: 3.2799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261342  Sterimol/B1: 3.25578  Sterimol/B2: 3.38082  Sterimol/B3: 5.44158
  Sterimol/B4: 5.86384  Sterimol/L: 11.0875 
 
 Surface and Volume Properties
  Accessible surface: 443.013  Positive charged surface: 177.352  Negative charged surface: 265.661  Volume: 229.875
  Hydrophobic surface: 367.371  Hydrophilic surface: 75.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.