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


MAYBRIDGE-ZINC01032480

 MMsINC code: MMs02149831
Type: Neutral
Formula: C15H11Cl2NO2S2
SMILES:   Clc1ccc(S(=O)(=O)NCc2c3cc(Cl)ccc3sc2)cc1
InChI:   InChI=1/C15H11Cl2NO2S2/c16-11-1-4-13(5-2-11)22(19,20)18-8-10-9-21-15-6-3-12(17)7-14(10)15/h1-7,9,18H,8H2

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)=21.6072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.296 g/mol  logS: -5.95977  SlogP: 4.953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107322  Sterimol/B1: 3.37461  Sterimol/B2: 5.07419  Sterimol/B3: 5.21192
  Sterimol/B4: 5.62542  Sterimol/L: 14.7807 
 
 Surface and Volume Properties
  Accessible surface: 552.979  Positive charged surface: 182.378  Negative charged surface: 366.824  Volume: 300.625
  Hydrophobic surface: 471.235  Hydrophilic surface: 81.744
 
 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.