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


PUBCHEM-ZINC05913478

 MMsINC code: MMs03442065
Type: Neutral
Formula: C18H18Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1/C(=N/NC(=O)Cc1ccc(OC)cc1)/CC
InChI:   InChI=1/C18H18Cl2N2O2/c1-3-17(15-9-6-13(19)11-16(15)20)21-22-18(23)10-12-4-7-14(24-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-17-

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)=102.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.26 g/mol  logS: -5.62651  SlogP: 4.47497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789632  Sterimol/B1: 2.36529  Sterimol/B2: 3.23998  Sterimol/B3: 5.36247
  Sterimol/B4: 9.23837  Sterimol/L: 17.6129 
 
 Surface and Volume Properties
  Accessible surface: 634.751  Positive charged surface: 348.155  Negative charged surface: 286.596  Volume: 335.125
  Hydrophobic surface: 558.722  Hydrophilic surface: 76.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.