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PUBCHEM-ZINC02736890

 MMsINC code: MMs02913649
Type: Neutral
Formula: C13H10Cl3NO2S
SMILES:   Clc1cc(ccc1Cl)CNS(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C13H10Cl3NO2S/c14-10-2-4-11(5-3-10)20(18,19)17-8-9-1-6-12(15)13(16)7-9/h1-7,17H,8H2

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Potential Energy
Epot(MMFF94)=20.8345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.653 g/mol  logS: -5.19363  SlogP: 4.3917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104337  Sterimol/B1: 2.93778  Sterimol/B2: 4.10705  Sterimol/B3: 4.74143
  Sterimol/B4: 5.22053  Sterimol/L: 16.3405 
 
 Surface and Volume Properties
  Accessible surface: 532.183  Positive charged surface: 173.808  Negative charged surface: 358.375  Volume: 275
  Hydrophobic surface: 447.806  Hydrophilic surface: 84.377
 
 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.