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


CHEMBRIDGE-ZINC02734468

 MMsINC code: MMs00714172
Type: Neutral
Formula: C11H12F3NO2
SMILES:   FC(F)(F)c1cc(NC(=O)COCC)ccc1
InChI:   InChI=1/C11H12F3NO2/c1-2-17-7-10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)

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)=66.1521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.216 g/mol  logS: -3.11337  SlogP: 2.9919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305228  Sterimol/B1: 2.57236  Sterimol/B2: 3.47434  Sterimol/B3: 3.93993
  Sterimol/B4: 3.99077  Sterimol/L: 15.7086 
 
 Surface and Volume Properties
  Accessible surface: 461.289  Positive charged surface: 248.988  Negative charged surface: 212.301  Volume: 209.125
  Hydrophobic surface: 279.097  Hydrophilic surface: 182.192
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.