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


PUBCHEM-ZINC00369351

 MMsINC code: MMs02665125
Type: Neutral
Formula: C11H11F6N3O
SMILES:   FC(F)(F)C(NC(=O)Nc1nc(ccc1)C)(C(F)(F)F)C
InChI:   InChI=1/C11H11F6N3O/c1-6-4-3-5-7(18-6)19-8(21)20-9(2,10(12,13)14)11(15,16)17/h3-5H,1-2H3,(H2,18,19,20,21)

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)=50.3984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.217 g/mol  logS: -3.28789  SlogP: 4.23462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697991  Sterimol/B1: 2.00809  Sterimol/B2: 3.59356  Sterimol/B3: 3.90923
  Sterimol/B4: 6.69889  Sterimol/L: 13.6449 
 
 Surface and Volume Properties
  Accessible surface: 472.054  Positive charged surface: 214.99  Negative charged surface: 257.064  Volume: 233.25
  Hydrophobic surface: 238.061  Hydrophilic surface: 233.993
 
 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.