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


PUBCHEM-ZINC03620175

 MMsINC code: MMs03023985
Type: Neutral
Formula: C19H20F3N3O
SMILES:   FC(F)(F)c1cc(-n2nc(OCCCN(C)C)c3c2cccc3)ccc1
InChI:   InChI=1/C19H20F3N3O/c1-24(2)11-6-12-26-18-16-9-3-4-10-17(16)25(23-18)15-8-5-7-14(13-15)19(20,21)22/h3-5,7-10,13H,6,11-12H2,1-2H3

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)=93.5479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.383 g/mol  logS: -4.90332  SlogP: 4.6863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355811  Sterimol/B1: 2.48683  Sterimol/B2: 4.49956  Sterimol/B3: 4.82292
  Sterimol/B4: 8.64405  Sterimol/L: 16.8685 
 
 Surface and Volume Properties
  Accessible surface: 633.659  Positive charged surface: 374.444  Negative charged surface: 252.748  Volume: 333.625
  Hydrophobic surface: 506.058  Hydrophilic surface: 127.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs03023986
PUBCHEM-ZINC03620175