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PUBCHEM-ZINC04795930

 MMsINC code: MMs03172411
Type: Ionized
Formula: C6H8O4S2-2
SMILES:   S(C(SCC(=O)[O-])C)CC(=O)[O-]
InChI:   InChI=1/C6H10O4S2/c1-4(11-2-5(7)8)12-3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2

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Potential Energy
Epot(MMFF94)=43.6216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.258 g/mol  logS: -2.29482  SlogP: -1.7014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751731  Sterimol/B1: 2.13962  Sterimol/B2: 2.84256  Sterimol/B3: 3.40656
  Sterimol/B4: 5.38197  Sterimol/L: 12.6365 
 
 Surface and Volume Properties
  Accessible surface: 377.591  Positive charged surface: 145.18  Negative charged surface: 232.411  Volume: 170.75
  Hydrophobic surface: 124.236  Hydrophilic surface: 253.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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:


MMs03172410
PUBCHEM-ZINC04795930