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PUBCHEM-ZINC05766225

 MMsINC code: MMs03379481
Type: Neutral
Formula: C20H28F2O
SMILES:   FC1(F)CCC(C)(C)C(\C=C\C(=C/C=C\C(=C\CO)\C)\C)=C1C
InChI:   InChI=1/C20H28F2O/c1-15(7-6-8-16(2)11-14-23)9-10-18-17(3)20(21,22)13-12-19(18,4)5/h6-11,23H,12-14H2,1-5H3/b8-6-,10-9+,15-7+,16-11-

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Potential Energy
Epot(MMFF94)=96.4348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.439 g/mol  logS: -6.96667  SlogP: 6.1754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14537  Sterimol/B1: 2.75562  Sterimol/B2: 3.08643  Sterimol/B3: 5.94754
  Sterimol/B4: 6.33389  Sterimol/L: 15.3613 
 
 Surface and Volume Properties
  Accessible surface: 598.316  Positive charged surface: 380.738  Negative charged surface: 217.578  Volume: 338.625
  Hydrophobic surface: 432.929  Hydrophilic surface: 165.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.