logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05997793

 MMsINC code: MMs03481817
Type: Neutral
Formula: C5H6F6O
SMILES:   FC(F)(C(F)C(F)(F)F)COC
InChI:   InChI=1/C5H6F6O/c1-12-2-4(7,8)3(6)5(9,10)11/h3H,2H2,1H3/t3-/m1/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=28.4206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.09 g/mol  logS: -1.8432  SlogP: 3.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127913  Sterimol/B1: 2.54346  Sterimol/B2: 2.9077  Sterimol/B3: 3.28056
  Sterimol/B4: 3.93425  Sterimol/L: 9.82641 
 
 Surface and Volume Properties
  Accessible surface: 319.243  Positive charged surface: 144.394  Negative charged surface: 174.85  Volume: 128.5
  Hydrophobic surface: 138.336  Hydrophilic surface: 180.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.