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NCID-ZINC05105818

 MMsINC code: MMs02442062
Type: Neutral
Formula: C14H24O
SMILES:   O=C1CCC2(C(CC(CC2)(C)C)C1C)C
InChI:   InChI=1/C14H24O/c1-10-11-9-13(2,3)7-8-14(11,4)6-5-12(10)15/h10-11H,5-9H2,1-4H3/t10-,11-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=60.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -4.4596  SlogP: 3.818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.357034  Sterimol/B1: 2.17096  Sterimol/B2: 2.91217  Sterimol/B3: 4.93538
  Sterimol/B4: 5.87266  Sterimol/L: 10.4748 
 
 Surface and Volume Properties
  Accessible surface: 407.485  Positive charged surface: 282.853  Negative charged surface: 124.632  Volume: 232.625
  Hydrophobic surface: 305.512  Hydrophilic surface: 101.973
 
 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.