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


PUBCHEM-ZINC05222545

 MMsINC code: MMs03225116
Type: Neutral
Formula: C24H17Cl3N2O
SMILES:   Clc1cc(ccc1Cl)C(=O)N1CCc2c([nH]c3c2cccc3)C1c1ccc(Cl)cc1
InChI:   InChI=1/C24H17Cl3N2O/c25-16-8-5-14(6-9-16)23-22-18(17-3-1-2-4-21(17)28-22)11-12-29(23)24(30)15-7-10-19(26)20(27)13-15/h1-10,13,23,28H,11-12H2/t23-/m1/s1

Download   format file 
Drug Similarity  |  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)=121.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.772 g/mol  logS: -7.79038  SlogP: 7.01147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281117  Sterimol/B1: 4.68405  Sterimol/B2: 5.14271  Sterimol/B3: 5.19611
  Sterimol/B4: 9.01092  Sterimol/L: 15.892 
 
 Surface and Volume Properties
  Accessible surface: 654.293  Positive charged surface: 270.315  Negative charged surface: 379.229  Volume: 394.875
  Hydrophobic surface: 607.598  Hydrophilic surface: 46.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.