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


NCID-ZINC01673229

MMsINC code: MMs02309180

Type: Neutral
Formula: C20H18O8
SMILES:   O(C(=O)c1cccc(C(OC)=O)c1-c1c(cccc1C(OC)=O)C(OC)=O)C
InChI:   InChI=1/C20H18O8/c1-25-17(21)11-7-5-8-12(18(22)26-2)15(11)16-13(19(23)27-3)9-6-10-14(16)20(24)28-4/h5-10H,1-4H3

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)=120.144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.356 g/mol  logS: -5.33818  SlogP: 2.5  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.62186  Sterimol/B1: 2.47217  Sterimol/B2: 5.47564  Sterimol/B3: 6.70921
  Sterimol/B4: 9.02521  Sterimol/L: 11.4983 
 
 Surface and Volume Properties
  Accessible surface: 627.699  Positive charged surface: 497.17  Negative charged surface: 130.528  Volume: 350.125
  Hydrophobic surface: 563.727  Hydrophilic surface: 63.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.