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


ENAMINE-ZINC02708393

 MMsINC code: MMs01286138
Type: Neutral
Formula: C23H18F3N3O
SMILES:   FC(F)(F)c1ccc(cc1)C(Nc1nccc(c1)C)c1ccc2c(nccc2)c1O
InChI:   InChI=1/C23H18F3N3O/c1-14-10-12-27-19(13-14)29-20(16-4-7-17(8-5-16)23(24,25)26)18-9-6-15-3-2-11-28-21(15)22(18)30/h2-13,20,30H,1H3,(H,27,29)/t20-/m0/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)=111.019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.411 g/mol  logS: -5.52732  SlogP: 6.27112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216684  Sterimol/B1: 2.28162  Sterimol/B2: 3.66741  Sterimol/B3: 6.12505
  Sterimol/B4: 9.76428  Sterimol/L: 15.0636 
 
 Surface and Volume Properties
  Accessible surface: 642.655  Positive charged surface: 342.188  Negative charged surface: 295.37  Volume: 365.25
  Hydrophobic surface: 463.009  Hydrophilic surface: 179.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.