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PUBCHEM-ZINC05158774

 MMsINC code: MMs03214858
Type: Neutral
Formula: C14H24O2
SMILES:   O(C(CC(C)=C)(CCC=C(C)C)C)C(=O)C
InChI:   InChI=1/C14H24O2/c1-11(2)8-7-9-14(6,10-12(3)4)16-13(5)15/h8H,3,7,9-10H2,1-2,4-6H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=59.8509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.344 g/mol  logS: -3.2229  SlogP: 4.0208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246877  Sterimol/B1: 3.26694  Sterimol/B2: 3.62118  Sterimol/B3: 5.38215
  Sterimol/B4: 6.57864  Sterimol/L: 12.4262 
 
 Surface and Volume Properties
  Accessible surface: 483.966  Positive charged surface: 315.198  Negative charged surface: 168.768  Volume: 257.375
  Hydrophobic surface: 405.86  Hydrophilic surface: 78.106
 
 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.