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


PUBCHEM-ZINC02245246

 MMsINC code: MMs02884635
Type: Neutral
Formula: C7H3Cl3O3
SMILES:   Clc1c(O)c(cc(Cl)c1Cl)C(O)=O
InChI:   InChI=1/C7H3Cl3O3/c8-3-1-2(7(12)13)6(11)5(10)4(3)9/h1,11H,(H,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)=40.4522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.457 g/mol  logS: -3.1952  SlogP: 3.0506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00845567  Sterimol/B1: 2.15478  Sterimol/B2: 2.23826  Sterimol/B3: 3.69015
  Sterimol/B4: 5.77802  Sterimol/L: 11.034 
 
 Surface and Volume Properties
  Accessible surface: 363.962  Positive charged surface: 118.165  Negative charged surface: 245.798  Volume: 167.75
  Hydrophobic surface: 237.494  Hydrophilic surface: 126.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02884636
PUBCHEM-ZINC02245246