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


PUBCHEM-ZINC05569728

 MMsINC code: MMs03309729
Type: Neutral
Formula: C14H20FNO3S
SMILES:   S(=O)(=O)(N(CCO)C1CCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C14H20FNO3S/c15-12-6-8-14(9-7-12)20(18,19)16(10-11-17)13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2

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)=52.4446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.382 g/mol  logS: -2.86202  SlogP: 2.1414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204075  Sterimol/B1: 2.55364  Sterimol/B2: 3.91661  Sterimol/B3: 4.48815
  Sterimol/B4: 6.69962  Sterimol/L: 12.9928 
 
 Surface and Volume Properties
  Accessible surface: 474.589  Positive charged surface: 307.711  Negative charged surface: 166.877  Volume: 271.75
  Hydrophobic surface: 398.707  Hydrophilic surface: 75.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.