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CHEMSTAR-ZINC01603592

 MMsINC code: MMs01078917
Type: Neutral
Formula: C12H8Cl2O4S
SMILES:   Clc1cc(S(=O)(=O)c2cc(Cl)c(O)cc2)ccc1O
InChI:   InChI=1/C12H8Cl2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H

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Potential Energy
Epot(MMFF94)=61.0075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.164 g/mol  logS: -4.09411  SlogP: 3.2374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130629  Sterimol/B1: 3.39216  Sterimol/B2: 3.81535  Sterimol/B3: 3.94446
  Sterimol/B4: 5.89899  Sterimol/L: 13.7722 
 
 Surface and Volume Properties
  Accessible surface: 477.746  Positive charged surface: 171.327  Negative charged surface: 306.419  Volume: 243.875
  Hydrophobic surface: 329.481  Hydrophilic surface: 148.265
 
 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.