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


PUBCHEM-ZINC05688768

 MMsINC code: MMs03349151
Type: Neutral
Formula: C19H20F3N
SMILES:   FC(F)(F)c1ccc(cc1)\C(=C/CCN(C)C)\c1ccccc1
InChI:   InChI=1/C19H20F3N/c1-23(2)14-6-9-18(15-7-4-3-5-8-15)16-10-12-17(13-11-16)19(20,21)22/h3-5,7-13H,6,14H2,1-2H3/b18-9-

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)=88.2072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.37 g/mol  logS: -4.79156  SlogP: 5.21759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137531  Sterimol/B1: 3.60766  Sterimol/B2: 3.86626  Sterimol/B3: 4.80182
  Sterimol/B4: 7.52567  Sterimol/L: 14.6368 
 
 Surface and Volume Properties
  Accessible surface: 569.863  Positive charged surface: 342.354  Negative charged surface: 227.509  Volume: 307.375
  Hydrophobic surface: 457.039  Hydrophilic surface: 112.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03349152
PUBCHEM-ZINC05688768