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


PUBCHEM-ZINC06523765

 MMsINC code: MMs03781823
Type: Neutral
Formula: C5H5NS5
SMILES:   S1SSSSc2n(ccc12)C
InChI:   InChI=1/C5H5NS5/c1-6-3-2-4-5(6)8-10-11-9-7-4/h2-3H,1H3

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)=-11.8048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.432 g/mol  logS: -5.64833  SlogP: 4.4417  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.083372  Sterimol/B1: 2.88088  Sterimol/B2: 3.22801  Sterimol/B3: 3.49859
  Sterimol/B4: 5.49427  Sterimol/L: 10.1979 
 
 Surface and Volume Properties
  Accessible surface: 362.393  Positive charged surface: 117.619  Negative charged surface: 117.526  Volume: 180.125
  Hydrophobic surface: 342.035  Hydrophilic surface: 20.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.