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


ASINEX-ZINC00880207

MMsINC code: MMs00205570

Type: Neutral
Formula: C23H23ClN2O4S
SMILES:   Clc1ccc(N(S(=O)(=O)c2ccc(cc2)C)CC(=O)NCc2ccccc2OC)cc1
InChI:   InChI=1/C23H23ClN2O4S/c1-17-7-13-21(14-8-17)31(28,29)26(20-11-9-19(24)10-12-20)16-23(27)25-15-18-5-3-4-6-22(18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)

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)=94.4014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.966 g/mol  logS: -6.32136  SlogP: 4.43512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828834  Sterimol/B1: 2.11927  Sterimol/B2: 2.69459  Sterimol/B3: 5.42953
  Sterimol/B4: 12.0164  Sterimol/L: 17.4406 
 
 Surface and Volume Properties
  Accessible surface: 738.448  Positive charged surface: 417.58  Negative charged surface: 320.868  Volume: 416.25
  Hydrophobic surface: 651.37  Hydrophilic surface: 87.078
 
 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: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.