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


PUBCHEM-ZINC00673951

 MMsINC code: MMs02725098
Type: Neutral
Formula: C22H23N3O5S2
SMILES:   S(=O)(=O)(Nc1ccc(cc1C)C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)cc
1
InChI:   InChI=1/C22H23N3O5S2/c1-15-4-13-22(16(2)14-15)25-32(29,30)21-11-7-19(8-12-21)24-31(27,28)20-9-5-18(6-10-20)23-17(3)26/h4-14,24-25H,1-3H3,(H,23,26)

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)=78.2792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.574 g/mol  logS: -5.5524  SlogP: 3.86344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110969  Sterimol/B1: 2.32797  Sterimol/B2: 4.96215  Sterimol/B3: 6.43709
  Sterimol/B4: 6.75597  Sterimol/L: 19.0514 
 
 Surface and Volume Properties
  Accessible surface: 723.792  Positive charged surface: 388.706  Negative charged surface: 335.086  Volume: 413.5
  Hydrophobic surface: 517.866  Hydrophilic surface: 205.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.