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


OAKWOOD-ZINC04244665

 MMsINC code: MMs02549353
Type: Neutral
Formula: C7H6F2S
SMILES:   SCc1cc(F)cc(F)c1
InChI:   InChI=1/C7H6F2S/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

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)=16.1706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.187 g/mol  logS: -2.93686  SlogP: 2.661  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0646532  Sterimol/B1: 2.31015  Sterimol/B2: 2.66765  Sterimol/B3: 3.53776
  Sterimol/B4: 5.0624  Sterimol/L: 10.2251 
 
 Surface and Volume Properties
  Accessible surface: 319.096  Positive charged surface: 145.766  Negative charged surface: 173.329  Volume: 135.625
  Hydrophobic surface: 259.403  Hydrophilic surface: 59.693
 
 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.