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


PUBCHEM-ZINC00397717

 MMsINC code: MMs02674283
Type: Neutral
Formula: C16H16ClNO5
SMILES:   Clc1cc(OC)ccc1OC(=O)Nc1cc(OC)ccc1OC
InChI:   InChI=1/C16H16ClNO5/c1-20-10-4-6-14(12(17)8-10)23-16(19)18-13-9-11(21-2)5-7-15(13)22-3/h4-9H,1-3H3,(H,18,19)

Download   format file 
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)=100.84 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.759 g/mol  logS: -4.28155  SlogP: 3.9767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628317  Sterimol/B1: 2.55865  Sterimol/B2: 3.46491  Sterimol/B3: 4.54187
  Sterimol/B4: 9.3504  Sterimol/L: 16.0991 
 
 Surface and Volume Properties
  Accessible surface: 584.699  Positive charged surface: 395.87  Negative charged surface: 188.829  Volume: 297.375
  Hydrophobic surface: 515.586  Hydrophilic surface: 69.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.