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


PUBCHEM-ZINC03609633

 MMsINC code: MMs03021483
Type: Neutral
Formula: C15H12F3NO2
SMILES:   FC(F)(F)c1cc(N(C)c2ccccc2C(O)=O)ccc1
InChI:   InChI=1/C15H12F3NO2/c1-19(13-8-3-2-7-12(13)14(20)21)11-6-4-5-10(9-11)15(16,17)18/h2-9H,1H3,(H,20,21)

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)=97.7631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.26 g/mol  logS: -4.1621  SlogP: 4.483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223465  Sterimol/B1: 2.29734  Sterimol/B2: 2.51528  Sterimol/B3: 5.86047
  Sterimol/B4: 5.99342  Sterimol/L: 13.6088 
 
 Surface and Volume Properties
  Accessible surface: 474.198  Positive charged surface: 233.034  Negative charged surface: 241.164  Volume: 252.125
  Hydrophobic surface: 299.776  Hydrophilic surface: 174.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03021484
PUBCHEM-ZINC03609633