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


ENAMINE-ZINC05936582

 MMsINC code: MMs01645902
Type: Neutral
Formula: C23H19F3N2O2
SMILES:   FC(F)(F)c1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C23H19F3N2O2/c1-15(16-9-3-2-4-10-16)27-22(30)18-12-6-8-14-20(18)28-21(29)17-11-5-7-13-19(17)23(24,25)26/h2-15H,1H3,(H,27,30)(H,28,29)/t15-/m1/s1

Download   format file 
Drug Similarity  |  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)=111.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.411 g/mol  logS: -6.65266  SlogP: 5.8557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490769  Sterimol/B1: 2.15327  Sterimol/B2: 3.97635  Sterimol/B3: 4.85074
  Sterimol/B4: 8.12007  Sterimol/L: 18.0704 
 
 Surface and Volume Properties
  Accessible surface: 650.901  Positive charged surface: 319.297  Negative charged surface: 331.604  Volume: 369.5
  Hydrophobic surface: 506.306  Hydrophilic surface: 144.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.