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PUBCHEM-ZINC06443081

 MMsINC code: MMs03733220
Type: Neutral
Formula: C11H20O4
SMILES:   OC1(CCCCC1)C(OC(COC)C)=O
InChI:   InChI=1/C11H20O4/c1-9(8-14-2)15-10(12)11(13)6-4-3-5-7-11/h9,13H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=44.7375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -1.73716  SlogP: 1.2597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820426  Sterimol/B1: 2.23051  Sterimol/B2: 2.92611  Sterimol/B3: 3.57409
  Sterimol/B4: 5.96829  Sterimol/L: 13.778 
 
 Surface and Volume Properties
  Accessible surface: 451.849  Positive charged surface: 364.98  Negative charged surface: 86.8685  Volume: 218.125
  Hydrophobic surface: 376.15  Hydrophilic surface: 75.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.