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PUBCHEM-ZINC05734923

 MMsINC code: MMs03365070
Type: Neutral
Formula: C14H24O
SMILES:   O=C(\C(=C\CC(CCC=C(C)C)C)\C)C
InChI:   InChI=1/C14H24O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,10,12H,6,8-9H2,1-5H3/b13-10+/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=52.8118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -4.17235  SlogP: 4.2943  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0557792  Sterimol/B1: 2.16247  Sterimol/B2: 3.43805  Sterimol/B3: 3.81296
  Sterimol/B4: 4.91225  Sterimol/L: 16.5083 
 
 Surface and Volume Properties
  Accessible surface: 496.331  Positive charged surface: 326.772  Negative charged surface: 169.558  Volume: 247.125
  Hydrophobic surface: 415.484  Hydrophilic surface: 80.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.