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


PUBCHEM-ZINC05113693

 MMsINC code: MMs03201868
Type: Neutral
Formula: C6H9F6O4P
SMILES:   P(OCCC(F)(F)F)(OCCC(F)(F)F)(O)=O
InChI:   InChI=1/C6H9F6O4P/c7-5(8,9)1-3-15-17(13,14)16-4-2-6(10,11)12/h1-4H2,(H,13,14)

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)=-32.2185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.096 g/mol  logS: -2.09028  SlogP: 2.7944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511617  Sterimol/B1: 2.44472  Sterimol/B2: 2.56488  Sterimol/B3: 3.84511
  Sterimol/B4: 4.61527  Sterimol/L: 14.9697 
 
 Surface and Volume Properties
  Accessible surface: 448.052  Positive charged surface: 170.144  Negative charged surface: 277.908  Volume: 188.125
  Hydrophobic surface: 140.304  Hydrophilic surface: 307.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03201869
PUBCHEM-ZINC05113693