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


ENAMINE-ZINC03331631

 MMsINC code: MMs01377096
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(NC1CCCCC1C)c1ccc(F)cc1F
InChI:   InChI=1/C13H17F2NO2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(14)8-11(13)15/h6-9,12,16H,2-5H2,1H3/t9-,12-/m0/s1

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)=-0.492665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.346 g/mol  logS: -3.48573  SlogP: 2.8218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165163  Sterimol/B1: 3.25379  Sterimol/B2: 3.477  Sterimol/B3: 4.06403
  Sterimol/B4: 6.32316  Sterimol/L: 12.5422 
 
 Surface and Volume Properties
  Accessible surface: 465.833  Positive charged surface: 262.316  Negative charged surface: 203.517  Volume: 250.75
  Hydrophobic surface: 377.983  Hydrophilic surface: 87.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.