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


PUBCHEM-ZINC02032184

 MMsINC code: MMs02859205
Type: Neutral
Formula: C8H7ClO4
SMILES:   Clc1cc(O)c(OC)cc1C(O)=O
InChI:   InChI=1/C8H7ClO4/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3,10H,1H3,(H,11,12)

Download   format file 
Drug Similarity  |  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)=48.1746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.593 g/mol  logS: -1.777  SlogP: 1.7524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241035  Sterimol/B1: 2.35052  Sterimol/B2: 2.37675  Sterimol/B3: 2.39838
  Sterimol/B4: 6.44925  Sterimol/L: 10.3139 
 
 Surface and Volume Properties
  Accessible surface: 369.03  Positive charged surface: 218.694  Negative charged surface: 150.336  Volume: 163.5
  Hydrophobic surface: 223.187  Hydrophilic surface: 145.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02859206
PUBCHEM-ZINC02032184