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


ENAMINE-ZINC03327109

 MMsINC code: MMs01374037
Type: Neutral
Formula: C21H25F3N2O
SMILES:   FC(F)(F)c1ccc(cc1)CN(CC(=O)Nc1ccc(cc1)CCCC)C
InChI:   InChI=1/C21H25F3N2O/c1-3-4-5-16-8-12-19(13-9-16)25-20(27)15-26(2)14-17-6-10-18(11-7-17)21(22,23)24/h6-13H,3-5,14-15H2,1-2H3,(H,25,27)

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)=109.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.438 g/mol  logS: -6.32889  SlogP: 5.69637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453591  Sterimol/B1: 2.51014  Sterimol/B2: 2.79242  Sterimol/B3: 4.85349
  Sterimol/B4: 7.32067  Sterimol/L: 20.9916 
 
 Surface and Volume Properties
  Accessible surface: 683.14  Positive charged surface: 412.411  Negative charged surface: 270.729  Volume: 364.25
  Hydrophobic surface: 511.358  Hydrophilic surface: 171.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01374038
ENAMINE-ZINC03327109