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


PUBCHEM-ZINC05477506

 MMsINC code: MMs03280884
Type: Neutral
Formula: C15H15FN2O2S
SMILES:   S(=O)(=O)(\N=C(/N(C)C)\c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C15H15FN2O2S/c1-18(2)15(12-8-10-13(16)11-9-12)17-21(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-15+

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)=75.1732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.361 g/mol  logS: -3.86172  SlogP: 2.5228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134023  Sterimol/B1: 2.11504  Sterimol/B2: 3.30207  Sterimol/B3: 4.23894
  Sterimol/B4: 8.55339  Sterimol/L: 13.651 
 
 Surface and Volume Properties
  Accessible surface: 517.662  Positive charged surface: 313.512  Negative charged surface: 204.15  Volume: 271.375
  Hydrophobic surface: 476.407  Hydrophilic surface: 41.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.