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


APOLLO-ZINC02566563

 MMsINC code: MMs00054194
Type: Neutral
Formula: C6H2F6O
SMILES:   FC(F)(F)c1oc(cc1)C(F)(F)F
InChI:   InChI=1/C6H2F6O/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h1-2H

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)=41.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.069 g/mol  logS: -3.40247  SlogP: 3.9402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714869  Sterimol/B1: 2.35239  Sterimol/B2: 2.81378  Sterimol/B3: 2.81649
  Sterimol/B4: 4.50476  Sterimol/L: 9.66 
 
 Surface and Volume Properties
  Accessible surface: 319.542  Positive charged surface: 48.3071  Negative charged surface: 271.235  Volume: 124.5
  Hydrophobic surface: 88.0891  Hydrophilic surface: 231.4529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.