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


NCID-ZINC05492678

 MMsINC code: MMs02466119
Type: Neutral
Formula: C7H7FOS
SMILES:   S(=O)(CF)c1ccccc1
InChI:   InChI=1/C7H7FOS/c8-6-10(9)7-4-2-1-3-5-7/h1-5H,6H2/t10-/m0/s1

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)=34.3785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.196 g/mol  logS: -1.70424  SlogP: 1.7212  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0977106  Sterimol/B1: 2.45516  Sterimol/B2: 3.49723  Sterimol/B3: 3.60057
  Sterimol/B4: 3.64156  Sterimol/L: 10.6206 
 
 Surface and Volume Properties
  Accessible surface: 320.835  Positive charged surface: 168.888  Negative charged surface: 151.947  Volume: 138.5
  Hydrophobic surface: 216.845  Hydrophilic surface: 103.99
 
 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.