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


PUBCHEM-ZINC06073843

 MMsINC code: MMs03526561
Type: Neutral
Formula: C26H34N2O9
SMILES:   O1CCOCCOc2c(OCCOCCOc3cc(NC(=O)C)ccc3OCC1)cc(NC(=O)C)cc2
InChI:   InChI=1/C26H34N2O9/c1-19(29)27-21-3-5-23-25(17-21)36-15-11-33-12-16-37-26-18-22(28-20(2)30)4-6-24(26)35-14-10-32-8-7-31-9-13-34-23/h3-6,17-18H,7-16H2,1-2H3,(H,27,29)(H,28,30)

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)=191.727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.563 g/mol  logS: -4.3764  SlogP: 2.8822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174349  Sterimol/B1: 2.28729  Sterimol/B2: 2.99297  Sterimol/B3: 3.34811
  Sterimol/B4: 10.4624  Sterimol/L: 24.4214 
 
 Surface and Volume Properties
  Accessible surface: 867.842  Positive charged surface: 657.857  Negative charged surface: 209.985  Volume: 486.75
  Hydrophobic surface: 731.126  Hydrophilic surface: 136.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.