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


PUBCHEM-ZINC03159301

 MMsINC code: MMs03002992
Type: Neutral
Formula: C9H12F6N2O2
SMILES:   FC(F)(C(F)(F)C(=O)NCC)C(F)(F)C(=O)NCC
InChI:   InChI=1/C9H12F6N2O2/c1-3-16-5(18)7(10,11)9(14,15)8(12,13)6(19)17-4-2/h3-4H2,1-2H3,(H,16,18)(H,17,19)

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)=50.7184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.195 g/mol  logS: -2.70012  SlogP: 2.4242  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0304967  Sterimol/B1: 2.58574  Sterimol/B2: 2.77169  Sterimol/B3: 3.02895
  Sterimol/B4: 3.27597  Sterimol/L: 16.9398 
 
 Surface and Volume Properties
  Accessible surface: 471.547  Positive charged surface: 245.005  Negative charged surface: 226.542  Volume: 215.75
  Hydrophobic surface: 207.56  Hydrophilic surface: 263.987
 
 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.