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PUBCHEM-ZINC05762179

 MMsINC code: MMs03375520
Type: Neutral
Formula: C15H24O
SMILES:   O=C1C2C3(CC(CC3)C2(C)C)C(CC1)(C)C
InChI:   InChI=1/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=119.002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.87278  SlogP: 3.818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.413991  Sterimol/B1: 2.70792  Sterimol/B2: 3.45822  Sterimol/B3: 4.06795
  Sterimol/B4: 5.78311  Sterimol/L: 10.3834 
 
 Surface and Volume Properties
  Accessible surface: 403.657  Positive charged surface: 282.627  Negative charged surface: 121.03  Volume: 236.625
  Hydrophobic surface: 316.585  Hydrophilic surface: 87.072
 
 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.