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PUBCHEM-ZINC05561156

 MMsINC code: MMs03307294
Type: Neutral
Formula: C15H26O4
SMILES:   O(C(=O)C1(CCCCC1CCC)C(OCC)=O)CC
InChI:   InChI=1/C15H26O4/c1-4-9-12-10-7-8-11-15(12,13(16)18-5-2)14(17)19-6-3/h12H,4-11H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=44.6316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -4.33604  SlogP: 3.0893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.34749  Sterimol/B1: 2.62047  Sterimol/B2: 3.16865  Sterimol/B3: 6.08801
  Sterimol/B4: 6.54536  Sterimol/L: 12.4234 
 
 Surface and Volume Properties
  Accessible surface: 526.904  Positive charged surface: 401.699  Negative charged surface: 125.205  Volume: 282.625
  Hydrophobic surface: 430.979  Hydrophilic surface: 95.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.