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


PUBCHEM-ZINC04814490

 MMsINC code: MMs03174321
Type: Neutral
Formula: C13H11F2NO2S
SMILES:   S(=O)(=O)(Nc1cc(F)cc(F)c1)c1ccc(cc1)C
InChI:   InChI=1/C13H11F2NO2S/c1-9-2-4-13(5-3-9)19(17,18)16-12-7-10(14)6-11(15)8-12/h2-8,16H,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)=22.634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.298 g/mol  logS: -4.1106  SlogP: 3.07402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158142  Sterimol/B1: 3.04201  Sterimol/B2: 3.45375  Sterimol/B3: 3.66695
  Sterimol/B4: 6.79288  Sterimol/L: 12.7068 
 
 Surface and Volume Properties
  Accessible surface: 455.057  Positive charged surface: 219.45  Negative charged surface: 235.607  Volume: 233.875
  Hydrophobic surface: 373.373  Hydrophilic surface: 81.684
 
 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.