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PUBCHEM-ZINC03040308

 MMsINC code: MMs02984576
Type: Neutral
Formula: C5H12O6S
SMILES:   S(O)(=O)(=O)C(O)(COCCO)C
InChI:   InChI=1/C5H12O6S/c1-5(7,12(8,9)10)4-11-3-2-6/h6-7H,2-4H2,1H3,(H,8,9,10)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=42.7409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.211 g/mol  logS: 0.26818  SlogP: -1.9741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106055  Sterimol/B1: 2.04548  Sterimol/B2: 3.53776  Sterimol/B3: 3.5404
  Sterimol/B4: 5.2294  Sterimol/L: 12.0266 
 
 Surface and Volume Properties
  Accessible surface: 376.533  Positive charged surface: 246.967  Negative charged surface: 129.566  Volume: 159.375
  Hydrophobic surface: 159.522  Hydrophilic surface: 217.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs02984577
PUBCHEM-ZINC03040308