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PUBCHEM-ZINC05761853

 MMsINC code: MMs03375179
Type: Neutral
Formula: C11H14O
SMILES:   O=C\C=C/C=C\C=C\C=C\CC
InChI:   InChI=1/C11H14O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-11H,2H2,1H3/b4-3+,6-5+,8-7-,10-9-

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Potential Energy
Epot(MMFF94)=37.8082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.232 g/mol  logS: -4.3631  SlogP: 2.8201  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0177597  Sterimol/B1: 2.44531  Sterimol/B2: 3.40371  Sterimol/B3: 3.57641
  Sterimol/B4: 4.05381  Sterimol/L: 15.9273 
 
 Surface and Volume Properties
  Accessible surface: 419.529  Positive charged surface: 235.761  Negative charged surface: 183.768  Volume: 187.875
  Hydrophobic surface: 319.765  Hydrophilic surface: 99.764
 
 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.