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APOLLO-ZINC02569907

 MMsINC code: MMs00054471
Type: Neutral
Formula: C11H6F6O2
SMILES:   FC(F)(F)c1cc(cc(c1)\C=C\C(O)=O)C(F)(F)F
InChI:   InChI=1/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/b2-1+

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Potential Energy
Epot(MMFF94)=53.276 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: 0.025569  Sterimol/B1: 2.63855  Sterimol/B2: 2.63858  Sterimol/B3: 3.37562
  Sterimol/B4: 6.42428  Sterimol/L: 12.7304 
 
 Surface and Volume Properties
  Accessible surface: 430.259  Positive charged surface: 106.42  Negative charged surface: 323.84  Volume: 201.75
  Hydrophobic surface: 120.809  Hydrophilic surface: 309.45
 
 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


MMs00054472
APOLLO-ZINC02569907