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PUBCHEM-ZINC05354219

 MMsINC code: MMs03246432
Type: Neutral
Formula: C14H24O
SMILES:   O=C1CC2C(CC(CC2)C(C)(C)C)CC1
InChI:   InChI=1/C14H24O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h10-12H,4-9H2,1-3H3/t10-,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=61.9824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -4.77305  SlogP: 3.818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246549  Sterimol/B1: 2.03777  Sterimol/B2: 3.37162  Sterimol/B3: 5.07646
  Sterimol/B4: 5.26806  Sterimol/L: 11.5556 
 
 Surface and Volume Properties
  Accessible surface: 414.093  Positive charged surface: 290.534  Negative charged surface: 123.559  Volume: 232.625
  Hydrophobic surface: 318.8  Hydrophilic surface: 95.293
 
 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.