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MAYBRIDGE-ZINC03127026

 MMsINC code: MMs02160900
Type: Neutral
Formula: C12H6Cl4O3S
SMILES:   Clc1cc(S(Oc2cc(Cl)cc(Cl)c2)(=O)=O)ccc1Cl
InChI:   InChI=1/C12H6Cl4O3S/c13-7-3-8(14)5-9(4-7)19-20(17,18)10-1-2-11(15)12(16)6-10/h1-6H

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Potential Energy
Epot(MMFF94)=57.6987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.055 g/mol  logS: -6.41937  SlogP: 5.0679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105372  Sterimol/B1: 2.96498  Sterimol/B2: 4.05965  Sterimol/B3: 4.21968
  Sterimol/B4: 6.27029  Sterimol/L: 13.9541 
 
 Surface and Volume Properties
  Accessible surface: 489.583  Positive charged surface: 107.282  Negative charged surface: 382.302  Volume: 267.75
  Hydrophobic surface: 417.932  Hydrophilic surface: 71.651
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.