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


PUBCHEM-ZINC01573401

MMsINC code: MMs02814945

Type: Neutral
Formula: C7H9NS2
SMILES:   S(C)c1cccnc1SC
InChI:   InChI=1/C7H9NS2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3

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)=33.9634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.288 g/mol  logS: -2.4808  SlogP: 2.5254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258838  Sterimol/B1: 2.37272  Sterimol/B2: 2.37766  Sterimol/B3: 2.6763
  Sterimol/B4: 5.87105  Sterimol/L: 10.9019 
 
 Surface and Volume Properties
  Accessible surface: 353.367  Positive charged surface: 203.221  Negative charged surface: 150.146  Volume: 161.5
  Hydrophobic surface: 274.173  Hydrophilic surface: 79.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.