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PUBCHEM-ZINC02165045

 MMsINC code: MMs02878598
Type: Neutral
Formula: C6H14O6S3
SMILES:   S(CCCS(O)(=O)=O)CCCS(O)(=O)=O
InChI:   InChI=1/C6H14O6S3/c7-14(8,9)5-1-3-13-4-2-6-15(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)

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Potential Energy
Epot(MMFF94)=-8.09515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.37 g/mol  logS: -1.02706  SlogP: -0.856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294802  Sterimol/B1: 2.50262  Sterimol/B2: 3.04625  Sterimol/B3: 3.04792
  Sterimol/B4: 3.06717  Sterimol/L: 17.5126 
 
 Surface and Volume Properties
  Accessible surface: 479.291  Positive charged surface: 248.814  Negative charged surface: 230.476  Volume: 209.625
  Hydrophobic surface: 199.812  Hydrophilic surface: 279.479
 
 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


MMs02878599
PUBCHEM-ZINC02165045