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PUBCHEM-ZINC06363934

 MMsINC code: MMs03688091
Type: Neutral
Formula: C14H23O2+
SMILES:   [O+](C)=C1C=C(OC(=C1)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C14H23O2/c1-13(2,3)11-8-10(15-7)9-12(16-11)14(4,5)6/h8-9H,1-7H3/q+1

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Potential Energy
Epot(MMFF94)=71.6012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.336 g/mol  logS: -3.05354  SlogP: 3.6112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154801  Sterimol/B1: 3.62434  Sterimol/B2: 3.62476  Sterimol/B3: 5.22687
  Sterimol/B4: 5.33877  Sterimol/L: 11.9126 
 
 Surface and Volume Properties
  Accessible surface: 465.466  Positive charged surface: 334.608  Negative charged surface: 130.858  Volume: 249.875
  Hydrophobic surface: 315.738  Hydrophilic surface: 149.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.