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


PUBCHEM-ZINC02000167

 MMsINC code: MMs02842499
Type: Neutral
Formula: C5H6F2O4
SMILES:   FCOC(=O)CC(OCF)=O
InChI:   InChI=1/C5H6F2O4/c6-2-10-4(8)1-5(9)11-3-7/h1-3H2

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)=4.3289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.095 g/mol  logS: -0.34718  SlogP: 0.3169  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0443496  Sterimol/B1: 2.11521  Sterimol/B2: 2.70683  Sterimol/B3: 2.7074
  Sterimol/B4: 3.81876  Sterimol/L: 11.9391 
 
 Surface and Volume Properties
  Accessible surface: 326.803  Positive charged surface: 192.374  Negative charged surface: 134.429  Volume: 127.5
  Hydrophobic surface: 128.176  Hydrophilic surface: 198.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.