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


PUBCHEM-ZINC06049096

 MMsINC code: MMs03514149
Type: Neutral
Formula: C14H22FNO2S
SMILES:   S(=O)(=O)(N(C(CC)C)C(CC)C)c1ccc(F)cc1
InChI:   InChI=1/C14H22FNO2S/c1-5-11(3)16(12(4)6-2)19(17,18)14-9-7-13(15)8-10-14/h7-12H,5-6H2,1-4H3/t11-,12+

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)=46.5782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.399 g/mol  logS: -3.3058  SlogP: 3.4134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263141  Sterimol/B1: 2.45802  Sterimol/B2: 3.13098  Sterimol/B3: 5.63223
  Sterimol/B4: 5.91389  Sterimol/L: 13.0363 
 
 Surface and Volume Properties
  Accessible surface: 457.194  Positive charged surface: 265.653  Negative charged surface: 191.54  Volume: 276.125
  Hydrophobic surface: 355.535  Hydrophilic surface: 101.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.