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


PUBCHEM-ZINC06073844

 MMsINC code: MMs03526562
Type: Neutral
Formula: C24H30N2O8
SMILES:   O1CCOCCOc2c(OCCOc3cc(NC(=O)C)ccc3OCC1)cc(NC(=O)C)cc2
InChI:   InChI=1/C24H30N2O8/c1-17(27)25-19-3-5-21-23(15-19)33-13-14-34-24-16-20(26-18(2)28)4-6-22(24)32-12-10-30-8-7-29-9-11-31-21/h3-6,15-16H,7-14H2,1-2H3,(H,25,27)(H,26,28)

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)=168.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.51 g/mol  logS: -4.23376  SlogP: 2.8656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290382  Sterimol/B1: 2.31907  Sterimol/B2: 3.05886  Sterimol/B3: 3.69857
  Sterimol/B4: 12.0674  Sterimol/L: 20.3693 
 
 Surface and Volume Properties
  Accessible surface: 774.862  Positive charged surface: 574.912  Negative charged surface: 199.949  Volume: 441.625
  Hydrophobic surface: 644.459  Hydrophilic surface: 130.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.