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


PUBCHEM-ZINC01006576

MMsINC code: MMs02755436

Type: Neutral
Formula: C22H19ClN2O3
SMILES:   Clc1ccc(OCC(=O)Nc2cc(ccc2)C(=O)Nc2cc(ccc2)C)cc1
InChI:   InChI=1/C22H19ClN2O3/c1-15-4-2-6-18(12-15)25-22(27)16-5-3-7-19(13-16)24-21(26)14-28-20-10-8-17(23)9-11-20/h2-13H,14H2,1H3,(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)=118.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.858 g/mol  logS: -6.60989  SlogP: 4.91822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231891  Sterimol/B1: 2.47426  Sterimol/B2: 3.82171  Sterimol/B3: 4.87867
  Sterimol/B4: 7.70887  Sterimol/L: 22.4804 
 
 Surface and Volume Properties
  Accessible surface: 687.078  Positive charged surface: 358.078  Negative charged surface: 329  Volume: 365.875
  Hydrophobic surface: 595.272  Hydrophilic surface: 91.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.