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


PUBCHEM-ZINC05545654

MMsINC code: MMs03303443

Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(NCc1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C14H14FNO2S/c1-11-6-8-13(9-7-11)19(17,18)16-10-12-4-2-3-5-14(12)15/h2-9,16H,10H2,1H3

Download   format file 
Drug Similarity  |  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)=16.9431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.335 g/mol  logS: -3.75966  SlogP: 2.87902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083605  Sterimol/B1: 3.06451  Sterimol/B2: 3.43446  Sterimol/B3: 4.00682
  Sterimol/B4: 6.06475  Sterimol/L: 15.3859 
 
 Surface and Volume Properties
  Accessible surface: 499.206  Positive charged surface: 251.299  Negative charged surface: 247.907  Volume: 251.25
  Hydrophobic surface: 417.153  Hydrophilic surface: 82.053
 
 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.