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


PUBCHEM-ZINC05909551

 MMsINC code: MMs03440494
Type: Neutral
Formula: C12H18FNO2S
SMILES:   S(=O)(=O)(N(C(C)C)C(C)C)c1ccc(F)cc1
InChI:   InChI=1/C12H18FNO2S/c1-9(2)14(10(3)4)17(15,16)12-7-5-11(13)6-8-12/h5-10H,1-4H3

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)=37.8357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.345 g/mol  logS: -2.90226  SlogP: 2.6332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19303  Sterimol/B1: 2.34614  Sterimol/B2: 2.47767  Sterimol/B3: 5.35524
  Sterimol/B4: 6.17637  Sterimol/L: 11.8976 
 
 Surface and Volume Properties
  Accessible surface: 433.992  Positive charged surface: 235.427  Negative charged surface: 198.565  Volume: 241.75
  Hydrophobic surface: 319.161  Hydrophilic surface: 114.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.