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CHEMDIV-ZINC02687250

 MMsINC code: MMs00884016
Type: Neutral
Formula: C15H8Cl2O4S
SMILES:   Clc1ccc(S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2=O)cc1
InChI:   InChI=1/C15H8Cl2O4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H

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Potential Energy
Epot(MMFF94)=59.2499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.197 g/mol  logS: -6.24016  SlogP: 3.7272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114585  Sterimol/B1: 3.18023  Sterimol/B2: 4.12166  Sterimol/B3: 4.65662
  Sterimol/B4: 5.07826  Sterimol/L: 15.9036 
 
 Surface and Volume Properties
  Accessible surface: 517.318  Positive charged surface: 174.896  Negative charged surface: 342.422  Volume: 277.875
  Hydrophobic surface: 416.488  Hydrophilic surface: 100.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.