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


ASINEX-ZINC00236800

 MMsINC code: MMs00095993
Type: Neutral
Formula: C15H10F2N2OS2
SMILES:   s1c2c(nc1SCC(=O)Nc1cc(F)c(F)cc1)cccc2
InChI:   InChI=1/C15H10F2N2OS2/c16-10-6-5-9(7-11(10)17)18-14(20)8-21-15-19-12-3-1-2-4-13(12)22-15/h1-7H,8H2,(H,18,20)

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)=66.9021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.386 g/mol  logS: -6.27952  SlogP: 4.3053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00802466  Sterimol/B1: 2.37427  Sterimol/B2: 2.7543  Sterimol/B3: 3.35326
  Sterimol/B4: 4.36426  Sterimol/L: 18.9943 
 
 Surface and Volume Properties
  Accessible surface: 548.694  Positive charged surface: 249.184  Negative charged surface: 299.51  Volume: 277
  Hydrophobic surface: 432.294  Hydrophilic surface: 116.4
 
 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.