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


PUBCHEM-ZINC04335796

 MMsINC code: MMs03114802
Type: Neutral
Formula: C26H27ClN2O4
SMILES:   Clc1ccc(cc1)COc1cc(ccc1)\C=N\NC(=O)COc1ccc(OCCCC)cc1
InChI:   InChI=1/C26H27ClN2O4/c1-2-3-15-31-23-11-13-24(14-12-23)33-19-26(30)29-28-17-21-5-4-6-25(16-21)32-18-20-7-9-22(27)10-8-20/h4-14,16-17H,2-3,15,18-19H2,1H3,(H,29,30)/b28-17+

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)=128.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.965 g/mol  logS: -7.26212  SlogP: 5.8934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00867307  Sterimol/B1: 3.59966  Sterimol/B2: 3.61696  Sterimol/B3: 3.61993
  Sterimol/B4: 7.80075  Sterimol/L: 29.0663 
 
 Surface and Volume Properties
  Accessible surface: 864.535  Positive charged surface: 509.215  Negative charged surface: 355.32  Volume: 448.25
  Hydrophobic surface: 730.752  Hydrophilic surface: 133.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.