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


ENAMINE-ZINC03316613

 MMsINC code: MMs01367299
Type: Neutral
Formula: C24H23Cl2N3O4S
SMILES:   Clc1cc(Cl)c(S(=O)(=O)Nc2cc(ccc2)C)cc1C(=O)Nc1ccc(N2CCOCC2)cc
1
InChI:   InChI=1/C24H23Cl2N3O4S/c1-16-3-2-4-18(13-16)28-34(31,32)23-14-20(21(25)15-22(23)26)24(30)27-17-5-7-19(8-6-17)29-9-11-33-12-10-29/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)

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)=176.015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 520.437 g/mol  logS: -7.1781  SlogP: 5.19152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671206  Sterimol/B1: 2.3504  Sterimol/B2: 4.45795  Sterimol/B3: 4.52433
  Sterimol/B4: 10.2014  Sterimol/L: 18.9855 
 
 Surface and Volume Properties
  Accessible surface: 755.744  Positive charged surface: 409.357  Negative charged surface: 346.387  Volume: 443
  Hydrophobic surface: 625.915  Hydrophilic surface: 129.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.