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


PUBCHEM-ZINC06093364

 MMsINC code: MMs03539599
Type: Neutral
Formula: C9H5FS3
SMILES:   S1SC(=S)C=C1c1ccc(F)cc1
InChI:   InChI=1/C9H5FS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H

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)=37.5179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.335 g/mol  logS: -6.1099  SlogP: 3.889  Reactive groups: 1
 
 Topological Properties
  Globularity: 4.10424e-07  Sterimol/B1: 2.33115  Sterimol/B2: 2.33485  Sterimol/B3: 3.04257
  Sterimol/B4: 5.13356  Sterimol/L: 12.8156 
 
 Surface and Volume Properties
  Accessible surface: 381.104  Positive charged surface: 101.925  Negative charged surface: 279.179  Volume: 184.125
  Hydrophobic surface: 300.616  Hydrophilic surface: 80.488
 
 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.