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


PUBCHEM-ZINC06090871

 MMsINC code: MMs03536828
Type: Ionized
Formula: C6Cl5O4S-
SMILES:   Clc1c(OS(=O)(=O)[O-])c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C6HCl5O4S/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H,12,13,14)/p-1

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)=37.6645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.393 g/mol  logS: -5.3107  SlogP: 3.7926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680471  Sterimol/B1: 2.18409  Sterimol/B2: 3.96523  Sterimol/B3: 4.77472
  Sterimol/B4: 4.77535  Sterimol/L: 11.4454 
 
 Surface and Volume Properties
  Accessible surface: 411.799  Positive charged surface: 38.4881  Negative charged surface: 373.311  Volume: 207.5
  Hydrophobic surface: 299.486  Hydrophilic surface: 112.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  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:  
   
Parent related molecule:


MMs03536827
PUBCHEM-ZINC06090871