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


PUBCHEM-ZINC05684355

 MMsINC code: MMs03346812
Type: Neutral
Formula: C10H11ClO5S2
SMILES:   ClC1CS(=O)(=O)CC1S(Oc1ccccc1)(=O)=O
InChI:   InChI=1/C10H11ClO5S2/c11-9-6-17(12,13)7-10(9)18(14,15)16-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m1/s1

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)=48.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.778 g/mol  logS: -2.68364  SlogP: 1.2195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130198  Sterimol/B1: 3.08854  Sterimol/B2: 3.31969  Sterimol/B3: 4.41091
  Sterimol/B4: 5.7533  Sterimol/L: 13.148 
 
 Surface and Volume Properties
  Accessible surface: 435.871  Positive charged surface: 173.894  Negative charged surface: 261.977  Volume: 229.875
  Hydrophobic surface: 256.609  Hydrophilic surface: 179.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.