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PUBCHEM-ZINC05761740

 MMsINC code: MMs03375078
Type: Neutral
Formula: C2H6O6S2
SMILES:   S(O)(=O)(=O)C(S(O)(=O)=O)C
InChI:   InChI=1/C2H6O6S2/c1-2(9(3,4)5)10(6,7)8/h2H,1H3,(H,3,4,5)(H,6,7,8)

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Potential Energy
Epot(MMFF94)=-37.2674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.196 g/mol  logS: 0.16042  SlogP: -2.0234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179217  Sterimol/B1: 2.00363  Sterimol/B2: 3.07009  Sterimol/B3: 3.34984
  Sterimol/B4: 5.37316  Sterimol/L: 9.63806 
 
 Surface and Volume Properties
  Accessible surface: 302.385  Positive charged surface: 127.06  Negative charged surface: 175.325  Volume: 119.25
  Hydrophobic surface: 60.2613  Hydrophilic surface: 242.1237
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs03375079
PUBCHEM-ZINC05761740