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PUBCHEM-ZINC05822028

 MMsINC code: MMs03401066
Type: Neutral
Formula: C13H28O3
SMILES:   O(C(CCCC)CC(OCC)OCC)CC
InChI:   InChI=1/C13H28O3/c1-5-9-10-12(14-6-2)11-13(15-7-3)16-8-4/h12-13H,5-11H2,1-4H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=34.1798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.364 g/mol  logS: -2.64201  SlogP: 3.3709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524923  Sterimol/B1: 2.64498  Sterimol/B2: 3.44709  Sterimol/B3: 4.32681
  Sterimol/B4: 5.94584  Sterimol/L: 15.534 
 
 Surface and Volume Properties
  Accessible surface: 518.694  Positive charged surface: 403.999  Negative charged surface: 114.695  Volume: 268.125
  Hydrophobic surface: 417.829  Hydrophilic surface: 100.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.