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


CHEMBRIDGE-ZINC04820938

 MMsINC code: MMs00793113
Type: Neutral
Formula: C20H18F3N3O2
SMILES:   FC(F)(F)c1ccccc1NC(=O)CCCc1onc(n1)-c1cc(ccc1)C
InChI:   InChI=1/C20H18F3N3O2/c1-13-6-4-7-14(12-13)19-25-18(28-26-19)11-5-10-17(27)24-16-9-3-2-8-15(16)20(21,22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,27)

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)=97.3147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.377 g/mol  logS: -6.82935  SlogP: 5.33669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339724  Sterimol/B1: 2.49829  Sterimol/B2: 4.60231  Sterimol/B3: 5.22529
  Sterimol/B4: 5.59963  Sterimol/L: 20.4668 
 
 Surface and Volume Properties
  Accessible surface: 656.318  Positive charged surface: 339.967  Negative charged surface: 316.351  Volume: 342
  Hydrophobic surface: 486.767  Hydrophilic surface: 169.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.