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


IBS-ZINC02268330

 MMsINC code: MMs01819481
Type: Neutral
Formula: C6H9F6O3P
SMILES:   P(OC(C(F)(F)F)C(F)(F)F)(OCC)(=O)C
InChI:   InChI=1/C6H9F6O3P/c1-3-14-16(2,13)15-4(5(7,8)9)6(10,11)12/h4H,3H2,1-2H3/t16-/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)=18.2447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.097 g/mol  logS: -2.10457  SlogP: 3.1252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203273  Sterimol/B1: 2.71353  Sterimol/B2: 3.54935  Sterimol/B3: 3.54957
  Sterimol/B4: 6.65942  Sterimol/L: 10.6233 
 
 Surface and Volume Properties
  Accessible surface: 402.556  Positive charged surface: 161.477  Negative charged surface: 241.079  Volume: 182
  Hydrophobic surface: 150.866  Hydrophilic surface: 251.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.