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NCID-ZINC04429261

 MMsINC code: MMs02387303
Type: Neutral
Formula: C11H18O2
SMILES:   O(C=O)C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C11H18O2/c1-10(2)8-4-5-11(3,6-8)9(10)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=74.1846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.263 g/mol  logS: -2.07117  SlogP: 2.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.417845  Sterimol/B1: 2.47537  Sterimol/B2: 3.64918  Sterimol/B3: 4.51351
  Sterimol/B4: 5.27262  Sterimol/L: 9.03859 
 
 Surface and Volume Properties
  Accessible surface: 370.36  Positive charged surface: 253.93  Negative charged surface: 116.43  Volume: 193.375
  Hydrophobic surface: 259.835  Hydrophilic surface: 110.525
 
 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.