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


ASINEX-ZINC01225264

 MMsINC code: MMs00233152
Type: Neutral
Formula: C8H8F4N2O3
SMILES:   FC(F)(COCC1=CNC(=O)NC1=O)C(F)F
InChI:   InChI=1/C8H8F4N2O3/c9-6(10)8(11,12)3-17-2-4-1-13-7(16)14-5(4)15/h1,6H,2-3H2,(H2,13,14,15,16)

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)=8.78541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.155 g/mol  logS: -1.79673  SlogP: 1.4665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557887  Sterimol/B1: 2.95649  Sterimol/B2: 3.00232  Sterimol/B3: 3.57139
  Sterimol/B4: 4.94442  Sterimol/L: 12.6282 
 
 Surface and Volume Properties
  Accessible surface: 402.189  Positive charged surface: 176.376  Negative charged surface: 225.813  Volume: 182.375
  Hydrophobic surface: 102.671  Hydrophilic surface: 299.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.