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PUBCHEM-ZINC05355952

 MMsINC code: MMs03246976
Type: Neutral
Formula: C8H14O4
SMILES:   O(C(=O)C(CC(OC)=O)(C)C)C
InChI:   InChI=1/C8H14O4/c1-8(2,7(10)12-4)5-6(9)11-3/h5H2,1-4H3

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Potential Energy
Epot(MMFF94)=34.8174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.196 g/mol  logS: -0.57426  SlogP: 0.7487  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114769  Sterimol/B1: 2.26186  Sterimol/B2: 2.37472  Sterimol/B3: 4.4587
  Sterimol/B4: 4.87451  Sterimol/L: 13.1454 
 
 Surface and Volume Properties
  Accessible surface: 381.738  Positive charged surface: 301.145  Negative charged surface: 80.593  Volume: 172.75
  Hydrophobic surface: 295.566  Hydrophilic surface: 86.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.