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


CHEMBRIDGE-ZINC02349448

MMsINC code: MMs00707885

Type: Neutral
Formula: C19H23NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NCCOc1ccccc1OC
InChI:   InChI=1/C19H23NO6/c1-22-14-7-5-6-8-15(14)26-10-9-20-19(21)13-11-16(23-2)18(25-4)17(12-13)24-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)

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)=123.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.394 g/mol  logS: -3.57725  SlogP: 2.5298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902569  Sterimol/B1: 2.25401  Sterimol/B2: 2.72857  Sterimol/B3: 6.54523
  Sterimol/B4: 7.44379  Sterimol/L: 17.5537 
 
 Surface and Volume Properties
  Accessible surface: 665.71  Positive charged surface: 526.019  Negative charged surface: 139.691  Volume: 345.375
  Hydrophobic surface: 595.694  Hydrophilic surface: 70.016
 
 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.