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


OAKWOOD-ZINC00405148

 MMsINC code: MMs02542977
Type: Neutral
Formula: C7H7FS
SMILES:   SCc1ccccc1F
InChI:   InChI=1/C7H7FS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,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)=19.72 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.197 g/mol  logS: -2.64188  SlogP: 2.5219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0656698  Sterimol/B1: 2.43604  Sterimol/B2: 2.48339  Sterimol/B3: 3.36731
  Sterimol/B4: 5.04527  Sterimol/L: 10.2238 
 
 Surface and Volume Properties
  Accessible surface: 313.632  Positive charged surface: 157.333  Negative charged surface: 156.299  Volume: 132.625
  Hydrophobic surface: 253.926  Hydrophilic surface: 59.706
 
 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.