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


AURORAFEINCHEMIE-ZINC04071807

 MMsINC code: MMs00465575
Type: Ionized
Formula: C8H4Cl4O6-2
SMILES:   ClC(Cl)=COC(C(OC=C(Cl)Cl)C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C8H6Cl4O6/c9-3(10)1-17-5(7(13)14)6(8(15)16)18-2-4(11)12/h1-2,5-6H,(H,13,14)(H,15,16)/p-2/t5-,6-/m1/s1

Download   format file 
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)=76.4181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.926 g/mol  logS: -3.99412  SlogP: 0.0274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248922  Sterimol/B1: 3.48808  Sterimol/B2: 4.20641  Sterimol/B3: 4.21953
  Sterimol/B4: 4.85391  Sterimol/L: 14.3667 
 
 Surface and Volume Properties
  Accessible surface: 482.405  Positive charged surface: 87.215  Negative charged surface: 395.19  Volume: 233.25
  Hydrophobic surface: 323.666  Hydrophilic surface: 158.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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:  
   
Parent related molecule:


MMs00465574
AURORAFEINCHEMIE-ZINC04071807