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


IFLAB-ZINC00260354

MMsINC code: MMs01978077

Type: Neutral
Formula: C17H18FNO2S
SMILES:   S(Cc1ccccc1F)CC(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C17H18FNO2S/c1-21-15-8-6-13(7-9-15)10-19-17(20)12-22-11-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)

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)=64.5447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.4 g/mol  logS: -4.63615  SlogP: 3.9167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297211  Sterimol/B1: 2.45881  Sterimol/B2: 2.98062  Sterimol/B3: 4.5338
  Sterimol/B4: 5.08069  Sterimol/L: 20.9321 
 
 Surface and Volume Properties
  Accessible surface: 599.582  Positive charged surface: 378.171  Negative charged surface: 221.411  Volume: 302.375
  Hydrophobic surface: 504.595  Hydrophilic surface: 94.987
 
 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.