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PUBCHEM-ZINC05761771

 MMsINC code: MMs03375114
Type: Neutral
Formula: C14H24O
SMILES:   O=C(CC\C=C(/CC\C=C(/CC)\C)\C)C
InChI:   InChI=1/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3/b12-8+,13-10+

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Potential Energy
Epot(MMFF94)=41.0558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -3.8461  SlogP: 4.4384  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0583729  Sterimol/B1: 2.21272  Sterimol/B2: 3.37664  Sterimol/B3: 4.15865
  Sterimol/B4: 5.53353  Sterimol/L: 16.2446 
 
 Surface and Volume Properties
  Accessible surface: 513.994  Positive charged surface: 353.085  Negative charged surface: 160.908  Volume: 251.875
  Hydrophobic surface: 432.461  Hydrophilic surface: 81.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.