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


ALFAAESAR-ZINC00156483

 MMsINC code: MMs00020167
Type: Neutral
Formula: C10H8ClF3O2S
SMILES:   Cl\C(=C/CS(=O)(=O)c1ccccc1)\C(F)(F)F
InChI:   InChI=1/C10H8ClF3O2S/c11-9(10(12,13)14)6-7-17(15,16)8-4-2-1-3-5-8/h1-6H,7H2/b9-6-

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)=59.1526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.685 g/mol  logS: -3.94521  SlogP: 3.6741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569216  Sterimol/B1: 2.63136  Sterimol/B2: 3.70003  Sterimol/B3: 4.01239
  Sterimol/B4: 4.02221  Sterimol/L: 13.7843 
 
 Surface and Volume Properties
  Accessible surface: 438.554  Positive charged surface: 136.568  Negative charged surface: 301.986  Volume: 209.75
  Hydrophobic surface: 269.872  Hydrophilic surface: 168.682
 
 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.