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NCID-ZINC05014677

 MMsINC code: MMs02428335
Type: Neutral
Formula: C11H18O2
SMILES:   OC1C2(CCC(C)(C2(C)C)C1=O)C
InChI:   InChI=1/C11H18O2/c1-9(2)10(3)5-6-11(9,4)8(13)7(10)12/h7,12H,5-6H2,1-4H3/t7-,10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=76.6419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.263 g/mol  logS: -1.88913  SlogP: 1.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.593868  Sterimol/B1: 2.25987  Sterimol/B2: 3.07306  Sterimol/B3: 4.5371
  Sterimol/B4: 6.22813  Sterimol/L: 9.32259 
 
 Surface and Volume Properties
  Accessible surface: 360.021  Positive charged surface: 235.728  Negative charged surface: 124.293  Volume: 191.625
  Hydrophobic surface: 221.133  Hydrophilic surface: 138.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.