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


CHEMBRIDGE-ZINC01151648

MMsINC code: MMs00672668

Type: Neutral
Formula: C22H19FN2O4
SMILES:   Fc1ccc(cc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
InChI:   InChI=1/C22H19FN2O4/c1-28-19-13-18(25-22(27)15-8-10-16(23)11-9-15)20(29-2)12-17(19)24-21(26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)(H,25,27)

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)=134.64 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.402 g/mol  logS: -5.7206  SlogP: 4.3475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197512  Sterimol/B1: 2.44615  Sterimol/B2: 2.53937  Sterimol/B3: 3.31546
  Sterimol/B4: 9.70385  Sterimol/L: 20.9171 
 
 Surface and Volume Properties
  Accessible surface: 668.158  Positive charged surface: 417.626  Negative charged surface: 250.532  Volume: 361.625
  Hydrophobic surface: 594.965  Hydrophilic surface: 73.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.