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PUBCHEM-ZINC00897149

 MMsINC code: MMs02741797
Type: Neutral
Formula: C5H10O5
SMILES:   OC(C(O)C=O)(CO)CO
InChI:   InChI=1/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=51.7883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 1.18707  SlogP: -2.7381  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.311731  Sterimol/B1: 2.58516  Sterimol/B2: 2.8008  Sterimol/B3: 3.68857
  Sterimol/B4: 4.81274  Sterimol/L: 8.72028 
 
 Surface and Volume Properties
  Accessible surface: 310.06  Positive charged surface: 220.229  Negative charged surface: 89.8312  Volume: 126.875
  Hydrophobic surface: 94.8169  Hydrophilic surface: 215.2431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.