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PUBCHEM-ZINC05112744

 MMsINC code: MMs03201159
Type: Ionized
Formula: C6H2O9-4
SMILES:   O(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C6H6O9/c7-3(8)1(4(9)10)15-2(5(11)12)6(13)14/h1-2H,(H,7,8)(H,9,10)(H,11,12)(H,13,14)/p-4

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Potential Energy
Epot(MMFF94)=143.755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.073 g/mol  logS: -0.75834  SlogP: -7.2602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244377  Sterimol/B1: 3.49898  Sterimol/B2: 3.73532  Sterimol/B3: 3.7782
  Sterimol/B4: 4.21384  Sterimol/L: 9.71789 
 
 Surface and Volume Properties
  Accessible surface: 353.403  Positive charged surface: 70.6527  Negative charged surface: 282.75  Volume: 146.375
  Hydrophobic surface: 14.4765  Hydrophilic surface: 338.9265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 8  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: 0
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Parent related molecule:


MMs03201158
PUBCHEM-ZINC05112744