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PUBCHEM-ZINC05767132

 MMsINC code: MMs03380015
Type: Neutral
Formula: C15H26O2
SMILES:   O1C(CCC1C(O)(C)C)(C)C1CCC(=CC1)C
InChI:   InChI=1/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=69.5314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.371 g/mol  logS: -2.4051  SlogP: 3.4414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198599  Sterimol/B1: 2.9287  Sterimol/B2: 3.78194  Sterimol/B3: 3.79515
  Sterimol/B4: 6.41947  Sterimol/L: 13.3575 
 
 Surface and Volume Properties
  Accessible surface: 470.358  Positive charged surface: 333.58  Negative charged surface: 136.777  Volume: 261.5
  Hydrophobic surface: 362.949  Hydrophilic surface: 107.409
 
 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.