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


PUBCHEM-ZINC05476250

 MMsINC code: MMs03280100
Type: Neutral
Formula: C6H9F5O3
SMILES:   FC(F)(C(O)(O)C(F)(F)F)C(O)CC
InChI:   InChI=1/C6H9F5O3/c1-2-3(12)4(7,8)5(13,14)6(9,10)11/h3,12-14H,2H2,1H3/t3-/m0/s1

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)=76.9512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.125 g/mol  logS: -1.35419  SlogP: 1.4756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159554  Sterimol/B1: 2.94558  Sterimol/B2: 3.14743  Sterimol/B3: 3.19412
  Sterimol/B4: 3.59788  Sterimol/L: 11.1958 
 
 Surface and Volume Properties
  Accessible surface: 344.163  Positive charged surface: 150.017  Negative charged surface: 194.146  Volume: 153.75
  Hydrophobic surface: 97.0465  Hydrophilic surface: 247.1165
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.