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


ASINEX-ZINC00236309

MMsINC code: MMs00095844

Type: Neutral
Formula: C12H9F4NO2
SMILES:   FC(F)(C(F)F)c1noc(c1)-c1cc(ccc1O)C
InChI:   InChI=1/C12H9F4NO2/c1-6-2-3-8(18)7(4-6)9-5-10(17-19-9)12(15,16)11(13)14/h2-5,11,18H,1H3

Download   format file 
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)=78.2337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.201 g/mol  logS: -3.89631  SlogP: 4.44392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038723  Sterimol/B1: 2.35326  Sterimol/B2: 3.01002  Sterimol/B3: 3.21273
  Sterimol/B4: 6.05966  Sterimol/L: 14.4775 
 
 Surface and Volume Properties
  Accessible surface: 455.6  Positive charged surface: 197.481  Negative charged surface: 258.12  Volume: 216.375
  Hydrophobic surface: 261.403  Hydrophilic surface: 194.197
 
 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.