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


PUBCHEM-ZINC03086358

 MMsINC code: MMs02991818
Type: Neutral
Formula: C7H6F3NO2S2
SMILES:   S(C(F)(F)F)c1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C7H6F3NO2S2/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)

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)=8.71991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.256 g/mol  logS: -3.77184  SlogP: 2.3658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684432  Sterimol/B1: 2.51736  Sterimol/B2: 3.02379  Sterimol/B3: 3.06238
  Sterimol/B4: 5.16687  Sterimol/L: 12.6426 
 
 Surface and Volume Properties
  Accessible surface: 386.751  Positive charged surface: 121.918  Negative charged surface: 264.833  Volume: 177.75
  Hydrophobic surface: 114.552  Hydrophilic surface: 272.199
 
 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


MMs02991819
PUBCHEM-ZINC03086358