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PUBCHEM-ZINC05113156

 MMsINC code: MMs03201504
Type: Ionized
Formula: C6H12O6S2-2
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)/p-2

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Potential Energy
Epot(MMFF94)=14.6502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.288 g/mol  logS: -0.58176  SlogP: -0.3628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562441  Sterimol/B1: 2.4149  Sterimol/B2: 3.04292  Sterimol/B3: 3.04423
  Sterimol/B4: 3.34498  Sterimol/L: 14.9233 
 
 Surface and Volume Properties
  Accessible surface: 420.648  Positive charged surface: 179.437  Negative charged surface: 241.211  Volume: 183.75
  Hydrophobic surface: 187.679  Hydrophilic surface: 232.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs03201503
PUBCHEM-ZINC05113156