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


PUBCHEM-ZINC01428449

 MMsINC code: MMs02804900
Type: Neutral
Formula: C15H17NO5S4
SMILES:   S(C)c1ccc(S(=O)(=O)N(S(=O)(=O)c2ccc(SC)cc2)OC)cc1
InChI:   InChI=1/C15H17NO5S4/c1-21-16(24(17,18)14-8-4-12(22-2)5-9-14)25(19,20)15-10-6-13(23-3)7-11-15/h4-11H,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)=64.4549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.567 g/mol  logS: -5.74382  SlogP: 3.0714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666348  Sterimol/B1: 2.56699  Sterimol/B2: 3.78537  Sterimol/B3: 4.58278
  Sterimol/B4: 8.20676  Sterimol/L: 17.9131 
 
 Surface and Volume Properties
  Accessible surface: 607.219  Positive charged surface: 284.327  Negative charged surface: 322.892  Volume: 345
  Hydrophobic surface: 435.617  Hydrophilic surface: 171.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.