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NCID-ZINC01702830

 MMsINC code: MMs02332050
Type: Neutral
Formula: C7H6Cl2O4S
SMILES:   Clc1cc(O)c(Cl)cc1OS(=O)(=O)C
InChI:   InChI=1/C7H6Cl2O4S/c1-14(11,12)13-7-3-4(8)6(10)2-5(7)9/h2-3,10H,1H3

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Potential Energy
Epot(MMFF94)=68.4573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.093 g/mol  logS: -2.76498  SlogP: 2.0374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713451  Sterimol/B1: 2.38155  Sterimol/B2: 3.44017  Sterimol/B3: 3.53464
  Sterimol/B4: 4.97135  Sterimol/L: 10.8675 
 
 Surface and Volume Properties
  Accessible surface: 381.437  Positive charged surface: 132.421  Negative charged surface: 249.016  Volume: 179.75
  Hydrophobic surface: 254.8  Hydrophilic surface: 126.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.