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


PUBCHEM-ZINC02089081

 MMsINC code: MMs02871672
Type: Neutral
Formula: C23H22Cl2N2O3S2
SMILES:   Clc1cc(Cl)ccc1CSCCNC(=O)c1ccc(N(S(=O)(=O)c2ccccc2)C)cc1
InChI:   InChI=1/C23H22Cl2N2O3S2/c1-27(32(29,30)21-5-3-2-4-6-21)20-11-8-17(9-12-20)23(28)26-13-14-31-16-18-7-10-19(24)15-22(18)25/h2-12,15H,13-14,16H2,1H3,(H,26,28)

Download   format file 
Drug Similarity  |  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)=91.6646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 509.478 g/mol  logS: -7.49679  SlogP: 5.7481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282897  Sterimol/B1: 3.77303  Sterimol/B2: 3.79454  Sterimol/B3: 5.12004
  Sterimol/B4: 8.2137  Sterimol/L: 23.4229 
 
 Surface and Volume Properties
  Accessible surface: 783.923  Positive charged surface: 381.72  Negative charged surface: 402.203  Volume: 443
  Hydrophobic surface: 655.782  Hydrophilic surface: 128.141
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.