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


PUBCHEM-ZINC02021736

 MMsINC code: MMs02856814
Type: Neutral
Formula: C9H9FS2
SMILES:   S1CCSC1c1cc(F)ccc1
InChI:   InChI=1/C9H9FS2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2

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)=29.3601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.301 g/mol  logS: -3.66675  SlogP: 3.3998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609132  Sterimol/B1: 3.04653  Sterimol/B2: 3.61482  Sterimol/B3: 3.65346
  Sterimol/B4: 5.05646  Sterimol/L: 11.1657 
 
 Surface and Volume Properties
  Accessible surface: 370.489  Positive charged surface: 192.75  Negative charged surface: 177.739  Volume: 176.375
  Hydrophobic surface: 294.662  Hydrophilic surface: 75.827
 
 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.