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


ASINEX-ZINC00824543

 MMsINC code: MMs00182336
Type: Neutral
Formula: C24H26N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)N(Cc1ccccc1)C)c1cc(OC)ccc1)c1ccc(cc1)C
InChI:   InChI=1/C24H26N2O4S/c1-19-12-14-23(15-13-19)31(28,29)26(21-10-7-11-22(16-21)30-3)18-24(27)25(2)17-20-8-5-4-6-9-20/h4-16H,17-18H2,1-3H3

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)=117.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.548 g/mol  logS: -5.48108  SlogP: 4.12392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074017  Sterimol/B1: 2.28938  Sterimol/B2: 4.49464  Sterimol/B3: 5.71768
  Sterimol/B4: 7.73254  Sterimol/L: 18.1109 
 
 Surface and Volume Properties
  Accessible surface: 702.598  Positive charged surface: 439.237  Negative charged surface: 263.36  Volume: 415.625
  Hydrophobic surface: 623.92  Hydrophilic surface: 78.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.