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


PUBCHEM-ZINC00725892

 MMsINC code: MMs02733558
Type: Neutral
Formula: C14H16Cl4N2O2
SMILES:   Clc1ccc(cc1)C(=O)NC(NCC1OCCC1)C(Cl)(Cl)Cl
InChI:   InChI=1/C14H16Cl4N2O2/c15-10-5-3-9(4-6-10)12(21)20-13(14(16,17)18)19-8-11-2-1-7-22-11/h3-6,11,13,19H,1-2,7-8H2,(H,20,21)/t11-,13+/m1/s1

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)=71.7779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.106 g/mol  logS: -5.01575  SlogP: 3.9546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808915  Sterimol/B1: 2.63288  Sterimol/B2: 2.89678  Sterimol/B3: 4.66212
  Sterimol/B4: 7.11886  Sterimol/L: 16.752 
 
 Surface and Volume Properties
  Accessible surface: 593.855  Positive charged surface: 258.02  Negative charged surface: 335.835  Volume: 317.375
  Hydrophobic surface: 402.895  Hydrophilic surface: 190.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.