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


PUBCHEM-ZINC00441690

 MMsINC code: MMs02683920
Type: Neutral
Formula: C14H20FNO2S
SMILES:   S(=O)(=O)(NC1CCCCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C14H20FNO2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h8-11,13,16H,1-7H2

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)=70.4504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.383 g/mol  logS: -4.01942  SlogP: 3.2169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176771  Sterimol/B1: 3.17775  Sterimol/B2: 4.20398  Sterimol/B3: 4.77162
  Sterimol/B4: 4.98989  Sterimol/L: 12.3857 
 
 Surface and Volume Properties
  Accessible surface: 453.442  Positive charged surface: 263.742  Negative charged surface: 189.7  Volume: 259
  Hydrophobic surface: 374.097  Hydrophilic surface: 79.345
 
 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.