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


PUBCHEM-ZINC06095545

 MMsINC code: MMs03541624
Type: Neutral
Formula: C11H8F4OS
SMILES:   S=C(CC(=O)C(F)(F)C(F)F)c1ccccc1
InChI:   InChI=1/C11H8F4OS/c12-10(13)11(14,15)9(16)6-8(17)7-4-2-1-3-5-7/h1-5,10H,6H2

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)=111.905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.242 g/mol  logS: -4.38779  SlogP: 4.104  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0390978  Sterimol/B1: 3.15345  Sterimol/B2: 3.40813  Sterimol/B3: 3.58525
  Sterimol/B4: 5.29616  Sterimol/L: 13.1539 
 
 Surface and Volume Properties
  Accessible surface: 425.165  Positive charged surface: 149.609  Negative charged surface: 275.555  Volume: 203.875
  Hydrophobic surface: 217.459  Hydrophilic surface: 207.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.