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


ENAMINE-ZINC05162263

MMsINC code: MMs01593717

Type: Neutral
Formula: C13H9F3N2
SMILES:   Fc1ccccc1\C=N\Nc1ccc(F)cc1F
InChI:   InChI=1/C13H9F3N2/c14-10-5-6-13(12(16)7-10)18-17-8-9-3-1-2-4-11(9)15/h1-8,18H/b17-8+

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)=58.2291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.223 g/mol  logS: -3.89185  SlogP: 3.5499  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.23544e-07  Sterimol/B1: 2.09803  Sterimol/B2: 2.10229  Sterimol/B3: 3.52762
  Sterimol/B4: 4.6599  Sterimol/L: 14.7073 
 
 Surface and Volume Properties
  Accessible surface: 447.927  Positive charged surface: 224.568  Negative charged surface: 223.359  Volume: 216.25
  Hydrophobic surface: 407.841  Hydrophilic surface: 40.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.