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PUBCHEM-ZINC04096066

 MMsINC code: MMs03089705
Type: Neutral
Formula: C6H8O6
SMILES:   O1C(C(O)CO)C(O)C(=O)C1=O
InChI:   InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3+,5+/m0/s1

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Potential Energy
Epot(MMFF94)=64.4231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.124 g/mol  logS: 0.12872  SlogP: -2.805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177716  Sterimol/B1: 3.14051  Sterimol/B2: 3.39983  Sterimol/B3: 3.74966
  Sterimol/B4: 4.2318  Sterimol/L: 10.7587 
 
 Surface and Volume Properties
  Accessible surface: 325.511  Positive charged surface: 203.582  Negative charged surface: 121.929  Volume: 138.375
  Hydrophobic surface: 92.4739  Hydrophilic surface: 233.0371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.