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CHEMSTAR-ZINC00608214

 MMsINC code: MMs01075963
Type: Neutral
Formula: C12H6Cl4O3S
SMILES:   Clc1cc(Cl)cc(S(=O)c2cc(Cl)cc(Cl)c2O)c1O
InChI:   InChI=1/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H

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Potential Energy
Epot(MMFF94)=74.2661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.055 g/mol  logS: -5.71217  SlogP: 4.8781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150271  Sterimol/B1: 3.60994  Sterimol/B2: 3.7341  Sterimol/B3: 3.78504
  Sterimol/B4: 6.07839  Sterimol/L: 11.748 
 
 Surface and Volume Properties
  Accessible surface: 504.538  Positive charged surface: 146.418  Negative charged surface: 358.12  Volume: 268.25
  Hydrophobic surface: 407.229  Hydrophilic surface: 97.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.