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


CHEMBLOCK-ZINC01426092

 MMsINC code: MMs00521035
Type: Neutral
Formula: C8H10FNO2S
SMILES:   S(=O)(=O)(Nc1cccc(F)c1C)C
InChI:   InChI=1/C8H10FNO2S/c1-6-7(9)4-3-5-8(6)10-13(2,11)12/h3-5,10H,1-2H3

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)=24.0896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.237 g/mol  logS: -1.67831  SlogP: 1.50562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18213  Sterimol/B1: 1.969  Sterimol/B2: 3.01647  Sterimol/B3: 3.19385
  Sterimol/B4: 6.82927  Sterimol/L: 10.2214 
 
 Surface and Volume Properties
  Accessible surface: 364.124  Positive charged surface: 179.098  Negative charged surface: 185.025  Volume: 170.125
  Hydrophobic surface: 280.742  Hydrophilic surface: 83.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.