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


PUBCHEM-ZINC02875718

MMsINC code: MMs02950403

Type: Neutral
Formula: C17H20N2O3S2
SMILES:   S(CCC(=O)Nc1ccc(S(=O)(=O)NCC)cc1)c1ccccc1
InChI:   InChI=1/C17H20N2O3S2/c1-2-18-24(21,22)16-10-8-14(9-11-16)19-17(20)12-13-23-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)

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)=38.6679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.49 g/mol  logS: -4.44982  SlogP: 3.1057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273132  Sterimol/B1: 2.42581  Sterimol/B2: 3.87874  Sterimol/B3: 4.78809
  Sterimol/B4: 5.48074  Sterimol/L: 21.164 
 
 Surface and Volume Properties
  Accessible surface: 637.229  Positive charged surface: 358.952  Negative charged surface: 278.276  Volume: 333
  Hydrophobic surface: 455.25  Hydrophilic surface: 181.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.