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


PUBCHEM-ZINC04783145

 MMsINC code: MMs03171110
Type: Neutral
Formula: C15H17ClN2O4S2
SMILES:   Clc1ccc(cc1)CS(=O)(=O)NCCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C15H17ClN2O4S2/c16-14-5-1-13(2-6-14)11-23(19,20)18-10-9-12-3-7-15(8-4-12)24(17,21)22/h1-8,18H,9-11H2,(H2,17,21,22)

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)=20.9525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.896 g/mol  logS: -3.95717  SlogP: 1.91587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513624  Sterimol/B1: 2.46989  Sterimol/B2: 3.81208  Sterimol/B3: 4.967
  Sterimol/B4: 5.05599  Sterimol/L: 20.0001 
 
 Surface and Volume Properties
  Accessible surface: 614.423  Positive charged surface: 290.067  Negative charged surface: 324.356  Volume: 318.625
  Hydrophobic surface: 404.941  Hydrophilic surface: 209.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03171111
PUBCHEM-ZINC04783145