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PUBCHEM-ZINC02569906

 MMsINC code: MMs02902538
Type: Neutral
Formula: C11H6F6O2
SMILES:   FC(F)(F)c1ccc(cc1\C=C\C(O)=O)C(F)(F)F
InChI:   InChI=1/C11H6F6O2/c12-10(13,14)7-2-3-8(11(15,16)17)6(5-7)1-4-9(18)19/h1-5H,(H,18,19)/b4-1+

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Potential Energy
Epot(MMFF94)=55.1896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.155 g/mol  logS: -3.9732  SlogP: 4.445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030744  Sterimol/B1: 2.63768  Sterimol/B2: 2.63897  Sterimol/B3: 4.72488
  Sterimol/B4: 5.12337  Sterimol/L: 12.2591 
 
 Surface and Volume Properties
  Accessible surface: 422.038  Positive charged surface: 107.746  Negative charged surface: 314.293  Volume: 199
  Hydrophobic surface: 122.451  Hydrophilic surface: 299.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02902539
PUBCHEM-ZINC02569906