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


ASINEX-ZINC00883410

 MMsINC code: MMs00207024
Type: Neutral
Formula: C24H22ClN3O3S
SMILES:   Clc1cc(S(=O)(=O)N(CC2=Cc3cc(ccc3NC2=O)C)Cc2cccnc2)c(cc1)C
InChI:   InChI=1/C24H22ClN3O3S/c1-16-5-8-22-19(10-16)11-20(24(29)27-22)15-28(14-18-4-3-9-26-13-18)32(30,31)23-12-21(25)7-6-17(23)2/h3-13H,14-15H2,1-2H3,(H,27,29)

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)=97.8382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.977 g/mol  logS: -5.81112  SlogP: 4.84484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106376  Sterimol/B1: 3.40075  Sterimol/B2: 5.03478  Sterimol/B3: 5.09479
  Sterimol/B4: 7.44076  Sterimol/L: 17.2857 
 
 Surface and Volume Properties
  Accessible surface: 656.847  Positive charged surface: 356.406  Negative charged surface: 300.442  Volume: 414.75
  Hydrophobic surface: 538.205  Hydrophilic surface: 118.642
 
 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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.