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


MICROSOURCE-ZINC03197566

 MMsINC code: MMs02188018
Type: Neutral
Formula: C20H24O6
SMILES:   O1CC(Cc2c1c(OC)c(OC)cc2)c1ccc(OC)c(OC)c1OC
InChI:   InChI=1/C20H24O6/c1-21-15-8-6-12-10-13(11-26-17(12)19(15)24-4)14-7-9-16(22-2)20(25-5)18(14)23-3/h6-9,13H,10-11H2,1-5H3/t13-/m0/s1

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)=142.473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.406 g/mol  logS: -3.57496  SlogP: 3.44827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126703  Sterimol/B1: 2.84943  Sterimol/B2: 4.67532  Sterimol/B3: 5.25255
  Sterimol/B4: 6.58589  Sterimol/L: 17.9373 
 
 Surface and Volume Properties
  Accessible surface: 630.115  Positive charged surface: 533.577  Negative charged surface: 96.5382  Volume: 347.25
  Hydrophobic surface: 592.273  Hydrophilic surface: 37.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.