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


PUBCHEM-ZINC03688068

 MMsINC code: MMs03042488
Type: Neutral
Formula: C21H23F3N2
SMILES:   FC(F)(F)c1cc2c([nH]c(-c3ccc(cc3)CC)c2CCCCN)cc1
InChI:   InChI=1/C21H23F3N2/c1-2-14-6-8-15(9-7-14)20-17(5-3-4-12-25)18-13-16(21(22,23)24)10-11-19(18)26-20/h6-11,13,26H,2-5,12,25H2,1H3

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)=61.0279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.423 g/mol  logS: -6.24558  SlogP: 6.00894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728232  Sterimol/B1: 3.01585  Sterimol/B2: 3.73813  Sterimol/B3: 3.99276
  Sterimol/B4: 9.5573  Sterimol/L: 17.257 
 
 Surface and Volume Properties
  Accessible surface: 634.834  Positive charged surface: 370.953  Negative charged surface: 259.584  Volume: 346
  Hydrophobic surface: 419.3  Hydrophilic surface: 215.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs03042489
PUBCHEM-ZINC03688068