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ACROSORGANICS-ZINC04261827

 MMsINC code: MMs00016907
Type: Ionized
Formula: C2H4O8S2-2
SMILES:   S(=O)(=O)([O-])C(O)C(S(=O)(=O)[O-])O
InChI:   InChI=1/C2H6O8S2/c3-1(11(5,6)7)2(4)12(8,9)10/h1-4H,(H,5,6,7)(H,8,9,10)/p-2/t1-,2+

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Potential Energy
Epot(MMFF94)=61.2874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.178 g/mol  logS: 0.86894  SlogP: -3.2864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18495  Sterimol/B1: 2.87267  Sterimol/B2: 3.14659  Sterimol/B3: 3.48003
  Sterimol/B4: 3.86034  Sterimol/L: 9.788 
 
 Surface and Volume Properties
  Accessible surface: 309.925  Positive charged surface: 72.4115  Negative charged surface: 237.513  Volume: 125.125
  Hydrophobic surface: 26.0515  Hydrophilic surface: 283.8735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 6  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs00016906
ACROSORGANICS-ZINC04261827