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PUBCHEM-ZINC03872702

 MMsINC code: MMs03081408
Type: Neutral
Formula: C6H8O6
SMILES:   O1C2C(OC(=O)C2O)C(O)C1O
InChI:   InChI=1/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2+,3+,4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=75.2701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.124 g/mol  logS: 0.28786  SlogP: -2.6492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174729  Sterimol/B1: 2.53096  Sterimol/B2: 2.58963  Sterimol/B3: 3.2982
  Sterimol/B4: 4.04851  Sterimol/L: 9.41269 
 
 Surface and Volume Properties
  Accessible surface: 321.065  Positive charged surface: 212.932  Negative charged surface: 108.133  Volume: 132.375
  Hydrophobic surface: 86.6057  Hydrophilic surface: 234.4593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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: no related molecules available.