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


NCID-ZINC04963553

 MMsINC code: MMs02420194
Type: Neutral
Formula: C20H20O6
SMILES:   O1C2C(OC1c1ccccc1)C1OC(OC1C(O)C2O)c1ccccc1
InChI:   InChI=1/C20H20O6/c21-13-14(22)16-18(26-20(24-16)12-9-5-2-6-10-12)17-15(13)23-19(25-17)11-7-3-1-4-8-11/h1-10,13-22H/t13-,14+,15-,16-,17-,18+,19-,20-/m1/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)=129.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.374 g/mol  logS: -3.4998  SlogP: 1.8784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110908  Sterimol/B1: 2.34977  Sterimol/B2: 2.83664  Sterimol/B3: 5.69699
  Sterimol/B4: 5.84142  Sterimol/L: 17.5947 
 
 Surface and Volume Properties
  Accessible surface: 573.69  Positive charged surface: 360.711  Negative charged surface: 212.979  Volume: 321.375
  Hydrophobic surface: 469.319  Hydrophilic surface: 104.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.