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


PUBCHEM-ZINC03756484

 MMsINC code: MMs03071176
Type: Neutral
Formula: C19H14F3NO2
SMILES:   FC(F)(F)c1ccc(cc1)-c1nc2c(cc(cc2C)C)c(c1)C(O)=O
InChI:   InChI=1/C19H14F3NO2/c1-10-7-11(2)17-14(8-10)15(18(24)25)9-16(23-17)12-3-5-13(6-4-12)19(20,21)22/h3-9H,1-2H3,(H,24,25)

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)=95.3635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.32 g/mol  logS: -6.02894  SlogP: 5.54714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100875  Sterimol/B1: 2.51247  Sterimol/B2: 2.81534  Sterimol/B3: 5.05126
  Sterimol/B4: 6.72796  Sterimol/L: 16.1714 
 
 Surface and Volume Properties
  Accessible surface: 557.915  Positive charged surface: 248.221  Negative charged surface: 298.51  Volume: 298
  Hydrophobic surface: 350.68  Hydrophilic surface: 207.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03071177
PUBCHEM-ZINC03756484