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PUBCHEM-ZINC03211305

 MMsINC code: MMs03008021
Type: Neutral
Formula: C14H13Cl3N2O4S2
SMILES:   ClC(Cl)(Cl)C(NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C14H13Cl3N2O4S2/c15-14(16,17)13(18-24(20,21)11-7-3-1-4-8-11)19-25(22,23)12-9-5-2-6-10-12/h1-10,13,18-19H

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Potential Energy
Epot(MMFF94)=17.3118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.759 g/mol  logS: -5.14367  SlogP: 3.0596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227455  Sterimol/B1: 2.5228  Sterimol/B2: 4.63035  Sterimol/B3: 4.8821
  Sterimol/B4: 9.38222  Sterimol/L: 12.7618 
 
 Surface and Volume Properties
  Accessible surface: 537.942  Positive charged surface: 197.442  Negative charged surface: 340.5  Volume: 334.375
  Hydrophobic surface: 290.823  Hydrophilic surface: 247.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.