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


ALFAAESAR-ZINC05086661

 MMsINC code: MMs00025209
Type: Neutral
Formula: C2H3F3O2
SMILES:   FC(F)(F)C(O)O
InChI:   InChI=1/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H

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)=29.2822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.038 g/mol  logS: -0.14918  SlogP: 0.2793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.331011  Sterimol/B1: 2.45706  Sterimol/B2: 2.82081  Sterimol/B3: 3.15238
  Sterimol/B4: 3.22565  Sterimol/L: 6.80718 
 
 Surface and Volume Properties
  Accessible surface: 228.888  Positive charged surface: 85.986  Negative charged surface: 142.902  Volume: 71
  Hydrophobic surface: 20.9377  Hydrophilic surface: 207.9503
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.