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PUBCHEM-ZINC05720892

 MMsINC code: MMs03358552
Type: Neutral
Formula: C14H22O
SMILES:   O=C1C2C3(CC1(CC3)C)C(CCC2)(C)C
InChI:   InChI=1/C14H22O/c1-12(2)6-4-5-10-11(15)13(3)7-8-14(10,12)9-13/h10H,4-9H2,1-3H3/t10-,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=88.9122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.329 g/mol  logS: -3.73066  SlogP: 3.572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.325716  Sterimol/B1: 2.20884  Sterimol/B2: 3.01604  Sterimol/B3: 4.12949
  Sterimol/B4: 6.69615  Sterimol/L: 10.6969 
 
 Surface and Volume Properties
  Accessible surface: 397.594  Positive charged surface: 278.011  Negative charged surface: 119.583  Volume: 222.25
  Hydrophobic surface: 310.861  Hydrophilic surface: 86.733
 
 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.