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


MAYBRIDGE-ZINC04297044

 MMsINC code: MMs02163043
Type: Neutral
Formula: C19H16FNO3S2
SMILES:   s1c(cc(NS(=O)(=O)c2ccc(cc2)C)c1C(=O)C)-c1ccc(F)cc1
InChI:   InChI=1/C19H16FNO3S2/c1-12-3-9-16(10-4-12)26(23,24)21-17-11-18(25-19(17)13(2)22)14-5-7-15(20)8-6-14/h3-11,21H,1-2H3

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)=62.1865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.471 g/mol  logS: -6.32974  SlogP: 4.86602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225513  Sterimol/B1: 2.23031  Sterimol/B2: 2.39975  Sterimol/B3: 7.15471
  Sterimol/B4: 9.70717  Sterimol/L: 14.6679 
 
 Surface and Volume Properties
  Accessible surface: 605.472  Positive charged surface: 275.724  Negative charged surface: 329.748  Volume: 335.625
  Hydrophobic surface: 504.042  Hydrophilic surface: 101.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.