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


NCID-ZINC01726647

 MMsINC code: MMs02350357
Type: Neutral
Formula: C12H12Cl2N2O2
SMILES:   Clc1cc2n(CCOC(=O)C)c(nc2cc1Cl)C
InChI:   InChI=1/C12H12Cl2N2O2/c1-7-15-11-5-9(13)10(14)6-12(11)16(7)3-4-18-8(2)17/h5-6H,3-4H2,1-2H3

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)=28.7821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.146 g/mol  logS: -3.57499  SlogP: 3.48102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577699  Sterimol/B1: 2.34856  Sterimol/B2: 3.08699  Sterimol/B3: 3.55694
  Sterimol/B4: 9.06118  Sterimol/L: 15.1343 
 
 Surface and Volume Properties
  Accessible surface: 500.53  Positive charged surface: 238.034  Negative charged surface: 262.495  Volume: 247.125
  Hydrophobic surface: 425.319  Hydrophilic surface: 75.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.