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PUBCHEM-ZINC03032950

 MMsINC code: MMs02983385
Type: Neutral
Formula: C11H18O
SMILES:   OC1(CC(CC=C1C)C(C)=C)C
InChI:   InChI=1/C11H18O/c1-8(2)10-6-5-9(3)11(4,12)7-10/h5,10,12H,1,6-7H2,2-4H3/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=33.9566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.264 g/mol  logS: -1.99397  SlogP: 2.6698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190963  Sterimol/B1: 3.00339  Sterimol/B2: 3.21631  Sterimol/B3: 3.57974
  Sterimol/B4: 5.13655  Sterimol/L: 10.9526 
 
 Surface and Volume Properties
  Accessible surface: 381.363  Positive charged surface: 245.24  Negative charged surface: 136.123  Volume: 190.25
  Hydrophobic surface: 278.955  Hydrophilic surface: 102.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.