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


CHEMDIV-ZINC04881025

 MMsINC code: MMs00960269
Type: Neutral
Formula: C18H14Cl2N2O4
SMILES:   Clc1cc(OC)c(NC(=O)c2noc(c2)-c2cc(Cl)ccc2)cc1OC
InChI:   InChI=1/C18H14Cl2N2O4/c1-24-16-8-13(17(25-2)7-12(16)20)21-18(23)14-9-15(26-22-14)10-4-3-5-11(19)6-10/h3-9H,1-2H3,(H,21,23)

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)=112.017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.226 g/mol  logS: -6.11866  SlogP: 4.9179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125783  Sterimol/B1: 2.40808  Sterimol/B2: 2.5212  Sterimol/B3: 3.58342
  Sterimol/B4: 9.62144  Sterimol/L: 18.9276 
 
 Surface and Volume Properties
  Accessible surface: 634.567  Positive charged surface: 337.14  Negative charged surface: 297.427  Volume: 332.75
  Hydrophobic surface: 552.125  Hydrophilic surface: 82.442
 
 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.