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PUBCHEM-ZINC05359019

 MMsINC code: MMs03247957
Type: Neutral
Formula: C14H24O2
SMILES:   O(C(=O)C(C)C)C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C14H24O2/c1-9(2)11(15)16-12-13(3,4)10-6-7-14(12,5)8-10/h9-10,12H,6-8H2,1-5H3/t10-,12+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=76.8717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.344 g/mol  logS: -2.58579  SlogP: 3.4004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171506  Sterimol/B1: 3.28299  Sterimol/B2: 3.56522  Sterimol/B3: 3.83972
  Sterimol/B4: 5.78442  Sterimol/L: 12.6266 
 
 Surface and Volume Properties
  Accessible surface: 445.815  Positive charged surface: 317.588  Negative charged surface: 128.227  Volume: 246.625
  Hydrophobic surface: 346.002  Hydrophilic surface: 99.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.