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


PUBCHEM-ZINC05732464

 MMsINC code: MMs03363877
Type: Ionized
Formula: C10H8O6-2
SMILES:   O(C)c1cc(cc(OC)c1C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C10H10O6/c1-15-6-3-5(9(11)12)4-7(16-2)8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)/p-2

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)=64.8944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.168 g/mol  logS: -1.94534  SlogP: -1.5692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392484  Sterimol/B1: 2.93986  Sterimol/B2: 2.95093  Sterimol/B3: 4.50562
  Sterimol/B4: 6.10486  Sterimol/L: 11.767 
 
 Surface and Volume Properties
  Accessible surface: 405.013  Positive charged surface: 226.798  Negative charged surface: 178.215  Volume: 184.25
  Hydrophobic surface: 225.898  Hydrophilic surface: 179.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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:


MMs03363876
PUBCHEM-ZINC05732464