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PUBCHEM-ZINC06320852

 MMsINC code: MMs03672349
Type: Neutral
Formula: C11H8Cl2FNO2S2
SMILES:   Clc1cccc(F)c1CNS(=O)(=O)c1sc(Cl)cc1
InChI:   InChI=1/C11H8Cl2FNO2S2/c12-8-2-1-3-9(14)7(8)6-15-19(16,17)11-5-4-10(13)18-11/h1-5,15H,6H2

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Potential Energy
Epot(MMFF94)=15.2797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.226 g/mol  logS: -5.03059  SlogP: 3.9389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0892965  Sterimol/B1: 3.415  Sterimol/B2: 3.70849  Sterimol/B3: 4.32082
  Sterimol/B4: 5.32453  Sterimol/L: 14.6103 
 
 Surface and Volume Properties
  Accessible surface: 498.972  Positive charged surface: 156.356  Negative charged surface: 342.616  Volume: 253.875
  Hydrophobic surface: 418.544  Hydrophilic surface: 80.428
 
 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.