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


ASINEX-ZINC00928848

 MMsINC code: MMs00223725
Type: Neutral
Formula: C22H25FN2O5
SMILES:   Fc1ccccc1C(=O)Nc1cc(OCC)c(NC(=O)C2OCCC2)cc1OCC
InChI:   InChI=1/C22H25FN2O5/c1-3-28-19-13-17(25-22(27)18-10-7-11-30-18)20(29-4-2)12-16(19)24-21(26)14-8-5-6-9-15(14)23/h5-6,8-9,12-13,18H,3-4,7,10-11H2,1-2H3,(H,24,26)(H,25,27)/t18-/m0/s1

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)=130.058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.449 g/mol  logS: -5.30214  SlogP: 3.9929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388062  Sterimol/B1: 2.31617  Sterimol/B2: 2.97727  Sterimol/B3: 4.02802
  Sterimol/B4: 12.2045  Sterimol/L: 19.5007 
 
 Surface and Volume Properties
  Accessible surface: 723.727  Positive charged surface: 501.881  Negative charged surface: 221.846  Volume: 386.375
  Hydrophobic surface: 597.954  Hydrophilic surface: 125.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.