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


PUBCHEM-ZINC02040725

 MMsINC code: MMs02862819
Type: Neutral
Formula: C8H7FOS
SMILES:   S(C(=O)CF)c1ccccc1
InChI:   InChI=1/C8H7FOS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,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)=32.3231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.207 g/mol  logS: -3.11728  SlogP: 2.2748  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.063098  Sterimol/B1: 2.65227  Sterimol/B2: 3.60414  Sterimol/B3: 3.78423
  Sterimol/B4: 3.80022  Sterimol/L: 11.092 
 
 Surface and Volume Properties
  Accessible surface: 346.459  Positive charged surface: 171.134  Negative charged surface: 175.325  Volume: 151.5
  Hydrophobic surface: 228.829  Hydrophilic surface: 117.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.