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


PUBCHEM-ZINC05936772

 MMsINC code: MMs03453075
Type: Neutral
Formula: C23H18ClN3O2
SMILES:   Clc1ccccc1C(=O)N(Cc1ccccc1)Cc1nc(O)c2c(n1)cccc2
InChI:   InChI=1/C23H18ClN3O2/c24-19-12-6-4-10-17(19)23(29)27(14-16-8-2-1-3-9-16)15-21-25-20-13-7-5-11-18(20)22(28)26-21/h1-13H,14-15H2,(H,25,26,28)

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)=144.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.869 g/mol  logS: -6.22578  SlogP: 5.3642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0905642  Sterimol/B1: 2.34843  Sterimol/B2: 2.91202  Sterimol/B3: 4.48826
  Sterimol/B4: 10.3208  Sterimol/L: 15.7184 
 
 Surface and Volume Properties
  Accessible surface: 630.9  Positive charged surface: 331.166  Negative charged surface: 294.327  Volume: 371.25
  Hydrophobic surface: 521.066  Hydrophilic surface: 109.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.