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


PUBCHEM-ZINC06426508

 MMsINC code: MMs03726032
Type: Neutral
Formula: C17H15Cl3N2O2
SMILES:   Clc1cc(Cl)c(Cl)cc1OCC(=O)N\N=C(\C)/c1ccc(cc1)C
InChI:   InChI=1/C17H15Cl3N2O2/c1-10-3-5-12(6-4-10)11(2)21-22-17(23)9-24-16-8-14(19)13(18)7-15(16)20/h3-8H,9H2,1-2H3,(H,22,23)/b21-11+

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)=110.304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.678 g/mol  logS: -6.59792  SlogP: 4.87442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00460297  Sterimol/B1: 2.37609  Sterimol/B2: 2.51384  Sterimol/B3: 4.24554
  Sterimol/B4: 5.79878  Sterimol/L: 20.9717 
 
 Surface and Volume Properties
  Accessible surface: 637.69  Positive charged surface: 272.701  Negative charged surface: 364.989  Volume: 331.875
  Hydrophobic surface: 570.256  Hydrophilic surface: 67.434
 
 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.