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


CHEMBRIDGE-ZINC00290391

 MMsINC code: MMs00601979
Type: Neutral
Formula: C10H14F6N2O
SMILES:   FC(F)(F)C(NC(=O)NC1CCCCC1)C(F)(F)F
InChI:   InChI=1/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)18-8(19)17-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,17,18,19)

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)=5.76636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.223 g/mol  logS: -3.24145  SlogP: 3.9513  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0623492  Sterimol/B1: 2.86127  Sterimol/B2: 3.17262  Sterimol/B3: 3.51989
  Sterimol/B4: 4.1539  Sterimol/L: 13.9785 
 
 Surface and Volume Properties
  Accessible surface: 453.059  Positive charged surface: 228.457  Negative charged surface: 224.602  Volume: 220.25
  Hydrophobic surface: 222.376  Hydrophilic surface: 230.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.