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


NCID-ZINC06006842

 MMsINC code: MMs02516270
Type: Neutral
Formula: C23H17F3N2O3
SMILES:   FC(F)(F)c1cc2nc(-c3ccccc3)c(Oc3cc(OC)cc(OC)c3)nc2cc1
InChI:   InChI=1/C23H17F3N2O3/c1-29-16-11-17(30-2)13-18(12-16)31-22-21(14-6-4-3-5-7-14)27-20-10-15(23(24,25)26)8-9-19(20)28-22/h3-13H,1-2H3

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)=151.053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.394 g/mol  logS: -6.33054  SlogP: 6.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114439  Sterimol/B1: 2.45118  Sterimol/B2: 5.3835  Sterimol/B3: 6.73409
  Sterimol/B4: 9.30314  Sterimol/L: 15.3836 
 
 Surface and Volume Properties
  Accessible surface: 675.44  Positive charged surface: 383.068  Negative charged surface: 287.938  Volume: 370.125
  Hydrophobic surface: 523.729  Hydrophilic surface: 151.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.