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


ASINEX-ZINC04956083

 MMsINC code: MMs00412953
Type: Ionized
Formula: C10Cl2O8-4
SMILES:   Clc1c(C(=O)[O-])c(C(=O)[O-])c(Cl)c(C(=O)[O-])c1C(=O)[O-]
InChI:   InChI=1/C10H4Cl2O8/c11-5-1(7(13)14)2(8(15)16)6(12)4(10(19)20)3(5)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4

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)=106.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.008 g/mol  logS: -3.77286  SlogP: -3.5526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954787  Sterimol/B1: 2.93726  Sterimol/B2: 2.95205  Sterimol/B3: 4.48218
  Sterimol/B4: 5.90158  Sterimol/L: 9.8638 
 
 Surface and Volume Properties
  Accessible surface: 422.756  Positive charged surface: 41.8403  Negative charged surface: 380.915  Volume: 211.75
  Hydrophobic surface: 127.689  Hydrophilic surface: 295.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 8  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:


MMs00412952
ASINEX-ZINC04956083