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


PUBCHEM-ZINC00011243

 MMsINC code: MMs02626467
Type: Neutral
Formula: C10H8S3
SMILES:   S1C(c2ccccc2)=C(SC1=S)C
InChI:   InChI=1/C10H8S3/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-6H,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)=41.4005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.372 g/mol  logS: -4.64045  SlogP: 4.14  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084794  Sterimol/B1: 2.10108  Sterimol/B2: 2.13067  Sterimol/B3: 3.75747
  Sterimol/B4: 6.41031  Sterimol/L: 13.118 
 
 Surface and Volume Properties
  Accessible surface: 402.313  Positive charged surface: 146.183  Negative charged surface: 256.13  Volume: 197.375
  Hydrophobic surface: 243.644  Hydrophilic surface: 158.669
 
 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.