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PUBCHEM-ZINC05113156

 MMsINC code: MMs03201503
Type: Neutral
Formula: C6H14O6S2
SMILES:   S(O)(=O)(=O)CCCCCCS(O)(=O)=O
InChI:   InChI=1/C6H14O6S2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)

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Potential Energy
Epot(MMFF94)=-11.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.304 g/mol  logS: -0.43872  SlogP: -0.809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423314  Sterimol/B1: 2.40593  Sterimol/B2: 3.04658  Sterimol/B3: 3.04757
  Sterimol/B4: 3.34869  Sterimol/L: 15.8759 
 
 Surface and Volume Properties
  Accessible surface: 437.532  Positive charged surface: 231.458  Negative charged surface: 206.074  Volume: 189.875
  Hydrophobic surface: 189.196  Hydrophilic surface: 248.336
 
 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


MMs03201504
PUBCHEM-ZINC05113156