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PUBCHEM-ZINC05766959

 MMsINC code: MMs03379906
Type: Neutral
Formula: C14H24O
SMILES:   O=CC(CCC1C(CCC=C1C)(C)C)C
InChI:   InChI=1/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6,10-11,13H,5,7-9H2,1-4H3/t11-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=69.0854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -3.73501  SlogP: 3.9841  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.174016  Sterimol/B1: 2.50401  Sterimol/B2: 2.9745  Sterimol/B3: 3.73172
  Sterimol/B4: 6.69372  Sterimol/L: 12.3265 
 
 Surface and Volume Properties
  Accessible surface: 434.92  Positive charged surface: 297.339  Negative charged surface: 137.581  Volume: 239
  Hydrophobic surface: 314.687  Hydrophilic surface: 120.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.