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PUBCHEM-ZINC05923090

 MMsINC code: MMs03444896
Type: Neutral
Formula: C13H28O4
SMILES:   O(C(COC(OCC)CC)C)C(OCC)CC
InChI:   InChI=1/C13H28O4/c1-6-12(14-8-3)16-10-11(5)17-13(7-2)15-9-4/h11-13H,6-10H2,1-5H3/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=44.6328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.363 g/mol  logS: -1.96215  SlogP: 2.9533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16247  Sterimol/B1: 2.49575  Sterimol/B2: 3.71137  Sterimol/B3: 4.58838
  Sterimol/B4: 7.6735  Sterimol/L: 13.4031 
 
 Surface and Volume Properties
  Accessible surface: 547.878  Positive charged surface: 416.519  Negative charged surface: 131.359  Volume: 275.625
  Hydrophobic surface: 431.201  Hydrophilic surface: 116.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.