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


CHEMSTAR-ZINC03896124

 MMsINC code: MMs01085881
Type: Neutral
Formula: C18H25NO6
SMILES:   O1CCOCCOc2cc(NC(=O)C(C)=C)ccc2OCCOCC1
InChI:   InChI=1/C18H25NO6/c1-14(2)18(20)19-15-3-4-16-17(13-15)25-12-10-23-8-6-21-5-7-22-9-11-24-16/h3-4,13H,1,5-12H2,2H3,(H,19,20)

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)=139.671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.399 g/mol  logS: -2.77767  SlogP: 2.0222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378015  Sterimol/B1: 2.26199  Sterimol/B2: 3.96553  Sterimol/B3: 4.39902
  Sterimol/B4: 6.79905  Sterimol/L: 18.2149 
 
 Surface and Volume Properties
  Accessible surface: 608.184  Positive charged surface: 463.068  Negative charged surface: 145.117  Volume: 340.625
  Hydrophobic surface: 511.679  Hydrophilic surface: 96.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.