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PUBCHEM-ZINC05838823

 MMsINC code: MMs03409551
Type: Neutral
Formula: C13H26O3
SMILES:   O1C(CC(OC1CCC(O)CCC)C)(C)C
InChI:   InChI=1/C13H26O3/c1-5-6-11(14)7-8-12-15-10(2)9-13(3,4)16-12/h10-12,14H,5-9H2,1-4H3/t10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=66.7034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.348 g/mol  logS: -2.33399  SlogP: 2.8577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073233  Sterimol/B1: 3.35261  Sterimol/B2: 3.87356  Sterimol/B3: 4.11751
  Sterimol/B4: 4.4204  Sterimol/L: 15.7754 
 
 Surface and Volume Properties
  Accessible surface: 491.445  Positive charged surface: 370.994  Negative charged surface: 120.452  Volume: 250.625
  Hydrophobic surface: 365.091  Hydrophilic surface: 126.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.