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


PUBCHEM-ZINC00386204

 MMsINC code: MMs02670111
Type: Neutral
Formula: C14H15NO4S2
SMILES:   S(=O)(=O)(C)c1cc(S(=O)(=O)Nc2ccccc2)c(cc1)C
InChI:   InChI=1/C14H15NO4S2/c1-11-8-9-13(20(2,16)17)10-14(11)21(18,19)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3

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)=53.7628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.409 g/mol  logS: -3.34788  SlogP: 2.19932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284034  Sterimol/B1: 2.43616  Sterimol/B2: 3.52266  Sterimol/B3: 5.17872
  Sterimol/B4: 8.443  Sterimol/L: 11.6936 
 
 Surface and Volume Properties
  Accessible surface: 494.892  Positive charged surface: 239.16  Negative charged surface: 255.732  Volume: 276
  Hydrophobic surface: 356.514  Hydrophilic surface: 138.378
 
 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.