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NCID-ZINC01702837

 MMsINC code: MMs02332056
Type: Neutral
Formula: C8H6Cl4O6S2
SMILES:   Clc1c(OS(=O)(=O)C)c(Cl)c(Cl)c(OS(=O)(=O)C)c1Cl
InChI:   InChI=1/C8H6Cl4O6S2/c1-19(13,14)17-7-3(9)5(11)8(6(12)4(7)10)18-20(2,15)16/h1-2H3

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Potential Energy
Epot(MMFF94)=118.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.074 g/mol  logS: -4.86898  SlogP: 2.977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618399  Sterimol/B1: 2.47117  Sterimol/B2: 3.05332  Sterimol/B3: 3.41677
  Sterimol/B4: 6.44584  Sterimol/L: 13.1924 
 
 Surface and Volume Properties
  Accessible surface: 463.866  Positive charged surface: 111.924  Negative charged surface: 351.942  Volume: 254.375
  Hydrophobic surface: 318.741  Hydrophilic surface: 145.125
 
 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.