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PUBCHEM-ZINC02002800

 MMsINC code: MMs02844579
Type: Neutral
Formula: C5H6O7
SMILES:   O(C(C(O)=O)C(O)=O)CC(O)=O
InChI:   InChI=1/C5H6O7/c6-2(7)1-12-3(4(8)9)5(10)11/h3H,1H2,(H,6,7)(H,8,9)(H,10,11)

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Potential Energy
Epot(MMFF94)=31.0894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.096 g/mol  logS: 0.2793  SlogP: -1.3746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791034  Sterimol/B1: 2.48174  Sterimol/B2: 3.4645  Sterimol/B3: 3.71516
  Sterimol/B4: 3.94754  Sterimol/L: 11.0525 
 
 Surface and Volume Properties
  Accessible surface: 339.216  Positive charged surface: 191.176  Negative charged surface: 148.04  Volume: 132.375
  Hydrophobic surface: 49.2999  Hydrophilic surface: 289.9161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02844580
PUBCHEM-ZINC02002800