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PUBCHEM-ZINC03619309

 MMsINC code: MMs03023723
Type: Neutral
Formula: C14H26O4
SMILES:   OC(=O)C(CCCCCCC(C(O)=O)(C)C)(C)C
InChI:   InChI=1/C14H26O4/c1-13(2,11(15)16)9-7-5-6-8-10-14(3,4)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=33.2344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.358 g/mol  logS: -2.61756  SlogP: 3.5486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604152  Sterimol/B1: 2.37527  Sterimol/B2: 3.01844  Sterimol/B3: 4.79767
  Sterimol/B4: 4.87426  Sterimol/L: 17.6122 
 
 Surface and Volume Properties
  Accessible surface: 528.568  Positive charged surface: 362.412  Negative charged surface: 166.156  Volume: 271.625
  Hydrophobic surface: 295.67  Hydrophilic surface: 232.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03023724
PUBCHEM-ZINC03619309