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


CHEMBLOCK-ZINC00079882

 MMsINC code: MMs00494568
Type: Neutral
Formula: C10H8S3
SMILES:   S1SC(C)=C(c2ccccc2)C1=S
InChI:   InChI=1/C10H8S3/c1-7-9(10(11)13-12-7)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)=49.543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.372 g/mol  logS: -5.83187  SlogP: 4.14  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.185161  Sterimol/B1: 2.16492  Sterimol/B2: 2.30498  Sterimol/B3: 4.13152
  Sterimol/B4: 7.15604  Sterimol/L: 11.3885 
 
 Surface and Volume Properties
  Accessible surface: 389.776  Positive charged surface: 142.541  Negative charged surface: 247.235  Volume: 198.25
  Hydrophobic surface: 325.715  Hydrophilic surface: 64.061
 
 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.