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PUBCHEM-ZINC06031311

 MMsINC code: MMs03503861
Type: Neutral
Formula: C6H10O4S2
SMILES:   S1(=O)(=O)C=C(S(=O)(=O)CC1C)C
InChI:   InChI=1/C6H10O4S2/c1-5-3-12(9,10)6(2)4-11(5,7)8/h3,6H,4H2,1-2H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=18.2723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.274 g/mol  logS: -0.63441  SlogP: 0.0794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128674  Sterimol/B1: 3.16988  Sterimol/B2: 3.50589  Sterimol/B3: 4.09293
  Sterimol/B4: 4.32766  Sterimol/L: 10.0334 
 
 Surface and Volume Properties
  Accessible surface: 350.004  Positive charged surface: 164.857  Negative charged surface: 185.147  Volume: 162.25
  Hydrophobic surface: 198.434  Hydrophilic surface: 151.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.