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PUBCHEM-ZINC05273891

 MMsINC code: MMs03229196
Type: Neutral
Formula: C10H20O6
SMILES:   O(C(C(OC)C(OC)C=O)C(O)COC)C
InChI:   InChI=1/C10H20O6/c1-13-6-7(12)9(15-3)10(16-4)8(5-11)14-2/h5,7-10,12H,6H2,1-4H3/t7-,8+,9+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=87.5254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.264 g/mol  logS: 0.00889  SlogP: -0.7624  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0922442  Sterimol/B1: 2.36345  Sterimol/B2: 3.85272  Sterimol/B3: 4.64022
  Sterimol/B4: 5.29093  Sterimol/L: 13.4751 
 
 Surface and Volume Properties
  Accessible surface: 456.449  Positive charged surface: 394.752  Negative charged surface: 61.6977  Volume: 229.625
  Hydrophobic surface: 357.191  Hydrophilic surface: 99.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.