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


CHEMDIV-ZINC01482010

 MMsINC code: MMs00866685
Type: Neutral
Formula: C6H7ClN2O4S2
SMILES:   Clc1ccc(S(=O)(=O)N)cc1S(=O)(=O)N
InChI:   InChI=1/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)

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)=-20.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.717 g/mol  logS: -2.57239  SlogP: -0.3652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116947  Sterimol/B1: 3.09596  Sterimol/B2: 3.12428  Sterimol/B3: 3.20951
  Sterimol/B4: 5.63057  Sterimol/L: 11.0527 
 
 Surface and Volume Properties
  Accessible surface: 399.627  Positive charged surface: 156.308  Negative charged surface: 243.318  Volume: 185.75
  Hydrophobic surface: 145.158  Hydrophilic surface: 254.469
 
 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


MMs00866686
CHEMDIV-ZINC01482010