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ACROSORGANICS-ZINC03860972

 MMsINC code: MMs00015681
Type: Ionized
Formula: C6H3O6-3
SMILES:   O=C([O-])C\C(=C/C(=O)[O-])\C(=O)[O-]
InChI:   InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-

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Potential Energy
Epot(MMFF94)=66.5359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.084 g/mol  logS: -0.75674  SlogP: -4.4474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169748  Sterimol/B1: 2.2206  Sterimol/B2: 3.04964  Sterimol/B3: 3.80828
  Sterimol/B4: 4.56533  Sterimol/L: 9.89636 
 
 Surface and Volume Properties
  Accessible surface: 319.761  Positive charged surface: 91.1287  Negative charged surface: 228.633  Volume: 129.25
  Hydrophobic surface: 53.3638  Hydrophilic surface: 266.3972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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: 1
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Parent related molecule:


MMs00015680
ACROSORGANICS-ZINC03860972