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PUBCHEM-ZINC01529879

 MMsINC code: MMs02813115
Type: Neutral
Formula: C6H8O6
SMILES:   OC(CC(=O)C(O)=O)(C(O)=O)C
InChI:   InChI=1/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=30.7972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.124 g/mol  logS: 0.07984  SlogP: -1.1342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140673  Sterimol/B1: 2.41722  Sterimol/B2: 3.28119  Sterimol/B3: 3.48021
  Sterimol/B4: 5.32731  Sterimol/L: 10.6158 
 
 Surface and Volume Properties
  Accessible surface: 331.874  Positive charged surface: 185.811  Negative charged surface: 146.062  Volume: 140.25
  Hydrophobic surface: 79.8832  Hydrophilic surface: 251.9908
 
 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


MMs02813116
PUBCHEM-ZINC01529879