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PUBCHEM-ZINC06093151

 MMsINC code: MMs03539362
Type: Ionized
Formula: C6H4O6S2-2
SMILES:   S(=O)(=O)([O-])c1ccc(S(=O)(=O)[O-])cc1
InChI:   InChI=1/C6H6O6S2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)/p-2

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Potential Energy
Epot(MMFF94)=42.1375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.224 g/mol  logS: -1.62806  SlogP: -0.5052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0576036  Sterimol/B1: 2.42504  Sterimol/B2: 3.23155  Sterimol/B3: 3.23957
  Sterimol/B4: 4.86278  Sterimol/L: 10.6496 
 
 Surface and Volume Properties
  Accessible surface: 354.896  Positive charged surface: 75.6939  Negative charged surface: 279.202  Volume: 156.125
  Hydrophobic surface: 125.829  Hydrophilic surface: 229.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs03539361
PUBCHEM-ZINC06093151