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PUBCHEM-ZINC00461228

 MMsINC code: MMs02687247
Type: Neutral
Formula: C13H10Cl2FNO2S
SMILES:   Clc1cc(ccc1Cl)CNS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C13H10Cl2FNO2S/c14-12-6-1-9(7-13(12)15)8-17-20(18,19)11-4-2-10(16)3-5-11/h1-7,17H,8H2

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Potential Energy
Epot(MMFF94)=19.7623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.198 g/mol  logS: -4.75432  SlogP: 3.8774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104413  Sterimol/B1: 3.23981  Sterimol/B2: 3.50488  Sterimol/B3: 4.71827
  Sterimol/B4: 5.58209  Sterimol/L: 15.5034 
 
 Surface and Volume Properties
  Accessible surface: 513.054  Positive charged surface: 184.936  Negative charged surface: 328.118  Volume: 263
  Hydrophobic surface: 428.986  Hydrophilic surface: 84.068
 
 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.