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


PUBCHEM-ZINC00636931

 MMsINC code: MMs02717251
Type: Neutral
Formula: C20H20Cl4N4O2
SMILES:   Clc1cc(NC(=O)NC2CCCCC2NC(=O)Nc2cc(Cl)c(Cl)cc2)ccc1Cl
InChI:   InChI=1/C20H20Cl4N4O2/c21-13-7-5-11(9-15(13)23)25-19(29)27-17-3-1-2-4-18(17)28-20(30)26-12-6-8-14(22)16(24)10-12/h5-10,17-18H,1-4H2,(H2,25,27,29)(H2,26,28,30)/t17-,18+

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)=50.6181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.218 g/mol  logS: -7.15892  SlogP: 6.5546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657277  Sterimol/B1: 2.97151  Sterimol/B2: 3.74449  Sterimol/B3: 4.71015
  Sterimol/B4: 8.03317  Sterimol/L: 21.121 
 
 Surface and Volume Properties
  Accessible surface: 733.685  Positive charged surface: 333.215  Negative charged surface: 400.47  Volume: 404.25
  Hydrophobic surface: 640.758  Hydrophilic surface: 92.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.