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


IFLAB-ZINC04553861

MMsINC code: MMs02058917

Type: Neutral
Formula: C13H14FNO4S3
SMILES:   s1cccc1C(S(=O)(=O)c1ccc(F)cc1)CNS(=O)(=O)C
InChI:   InChI=1/C13H14FNO4S3/c1-21(16,17)15-9-13(12-3-2-8-20-12)22(18,19)11-6-4-10(14)5-7-11/h2-8,13,15H,9H2,1H3/t13-/m1/s1

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)=35.4642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.454 g/mol  logS: -3.20358  SlogP: 2.0469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115415  Sterimol/B1: 3.09022  Sterimol/B2: 4.38275  Sterimol/B3: 4.51122
  Sterimol/B4: 6.23362  Sterimol/L: 14.942 
 
 Surface and Volume Properties
  Accessible surface: 530.343  Positive charged surface: 232.209  Negative charged surface: 298.135  Volume: 288
  Hydrophobic surface: 404.718  Hydrophilic surface: 125.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.