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PUBCHEM-ZINC05167099

 MMsINC code: MMs03219365
Type: Neutral
Formula: C6H10O5
SMILES:   OC(C(O)C(=O)C)C(=O)CO
InChI:   InChI=1/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h5-7,10-11H,2H2,1H3/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=41.9851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.34702  SlogP: -2.1414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.1395  Sterimol/B1: 2.30705  Sterimol/B2: 3.03718  Sterimol/B3: 3.39116
  Sterimol/B4: 4.70327  Sterimol/L: 10.9773 
 
 Surface and Volume Properties
  Accessible surface: 331.161  Positive charged surface: 195.742  Negative charged surface: 135.419  Volume: 142.5
  Hydrophobic surface: 138.31  Hydrophilic surface: 192.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.