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


ALFAAESAR-ZINC01847428

 MMsINC code: MMs00022232
Type: Neutral
Formula: C3H4F4O
SMILES:   FC(F)(OC)C(F)F
InChI:   InChI=1/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3

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)=25.5355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.056 g/mol  logS: -1.02059  SlogP: 2.3305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159132  Sterimol/B1: 2.63372  Sterimol/B2: 2.72374  Sterimol/B3: 3.00552
  Sterimol/B4: 3.1566  Sterimol/L: 8.37716 
 
 Surface and Volume Properties
  Accessible surface: 254.248  Positive charged surface: 118.419  Negative charged surface: 135.828  Volume: 87.375
  Hydrophobic surface: 108.597  Hydrophilic surface: 145.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.