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


PUBCHEM-ZINC00688054

 MMsINC code: MMs02727806
Type: Neutral
Formula: C19H18Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C1N(N=C(C1)c1ccc(OC)cc1)C(=O)CC
InChI:   InChI=1/C19H18Cl2N2O2/c1-3-19(24)23-18(15-9-6-13(20)10-16(15)21)11-17(22-23)12-4-7-14(25-2)8-5-12/h4-10,18H,3,11H2,1-2H3/t18-/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)=86.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.271 g/mol  logS: -5.48981  SlogP: 5.1852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817478  Sterimol/B1: 2.49761  Sterimol/B2: 4.34288  Sterimol/B3: 4.47713
  Sterimol/B4: 9.79731  Sterimol/L: 16.5281 
 
 Surface and Volume Properties
  Accessible surface: 625.658  Positive charged surface: 342.754  Negative charged surface: 282.904  Volume: 339.5
  Hydrophobic surface: 560.618  Hydrophilic surface: 65.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.