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


PUBCHEM-ZINC02040303

 MMsINC code: MMs02862667
Type: Neutral
Formula: C12H13NO4S2
SMILES:   S(=O)(=O)(CC)c1c2c(cccc2)c(S(=O)(=O)N)cc1
InChI:   InChI=1/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)

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)=35.4949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -3.95727  SlogP: 1.2808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648497  Sterimol/B1: 3.1825  Sterimol/B2: 4.13533  Sterimol/B3: 4.43128
  Sterimol/B4: 5.23889  Sterimol/L: 13.4162 
 
 Surface and Volume Properties
  Accessible surface: 462.98  Positive charged surface: 220.991  Negative charged surface: 233.177  Volume: 242.25
  Hydrophobic surface: 263.122  Hydrophilic surface: 199.858
 
 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


MMs02862668
PUBCHEM-ZINC02040303