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PUBCHEM-ZINC02157242

 MMsINC code: MMs02877590
Type: Neutral
Formula: C13H8Cl4O6S2
SMILES:   Clc1cc(Cl)ccc1OS(=O)(=O)CS(Oc1ccc(Cl)cc1Cl)(=O)=O
InChI:   InChI=1/C13H8Cl4O6S2/c14-8-1-3-12(10(16)5-8)22-24(18,19)7-25(20,21)23-13-4-2-9(15)6-11(13)17/h1-6H,7H2

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Potential Energy
Epot(MMFF94)=65.4848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.145 g/mol  logS: -6.36882  SlogP: 4.3751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0720935  Sterimol/B1: 3.57229  Sterimol/B2: 4.02759  Sterimol/B3: 4.04189
  Sterimol/B4: 4.43804  Sterimol/L: 16.4389 
 
 Surface and Volume Properties
  Accessible surface: 559.409  Positive charged surface: 146.974  Negative charged surface: 412.434  Volume: 317.75
  Hydrophobic surface: 428.148  Hydrophilic surface: 131.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.