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PUBCHEM-ZINC05456995

 MMsINC code: MMs03275112
Type: Neutral
Formula: C16H22F6O2
SMILES:   FC(F)(F)C(O)(CC(O)\C=C\C=1C(CCCC=1C)(C)C)C(F)(F)F
InChI:   InChI=1/C16H22F6O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(23)9-14(24,15(17,18)19)16(20,21)22/h6-7,11,23-24H,4-5,8-9H2,1-3H3/b7-6+/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=86.3074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.338 g/mol  logS: -5.5053  SlogP: 5.5157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108494  Sterimol/B1: 2.33062  Sterimol/B2: 3.28993  Sterimol/B3: 4.27203
  Sterimol/B4: 7.11574  Sterimol/L: 14.9346 
 
 Surface and Volume Properties
  Accessible surface: 531.064  Positive charged surface: 271.67  Negative charged surface: 259.394  Volume: 298.625
  Hydrophobic surface: 273.415  Hydrophilic surface: 257.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.