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


ENAMINE-ZINC00549722

 MMsINC code: MMs01232945
Type: Neutral
Formula: C14H13FN2O2S2
SMILES:   s1cccc1C1=NN(S(=O)(=O)C)C(C1)c1ccc(F)cc1
InChI:   InChI=1/C14H13FN2O2S2/c1-21(18,19)17-13(10-4-6-11(15)7-5-10)9-12(16-17)14-3-2-8-20-14/h2-8,13H,9H2,1H3/t13-/m0/s1

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)=89.1326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.4 g/mol  logS: -3.49926  SlogP: 3.0934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153574  Sterimol/B1: 2.64541  Sterimol/B2: 3.6415  Sterimol/B3: 4.42886
  Sterimol/B4: 6.85908  Sterimol/L: 14.047 
 
 Surface and Volume Properties
  Accessible surface: 510.197  Positive charged surface: 229.769  Negative charged surface: 280.427  Volume: 272.875
  Hydrophobic surface: 429.883  Hydrophilic surface: 80.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.