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


ENAMINE-ZINC03354426

 MMsINC code: MMs01391696
Type: Neutral
Formula: C11H13F2NO2S
SMILES:   S(=O)(=O)(NC1CCCC1)c1ccc(F)cc1F
InChI:   InChI=1/C11H13F2NO2S/c12-8-5-6-11(10(13)7-8)17(15,16)14-9-3-1-2-4-9/h5-7,9,14H,1-4H2

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)=7.78005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.292 g/mol  logS: -2.76874  SlogP: 2.1857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118866  Sterimol/B1: 2.3598  Sterimol/B2: 3.82405  Sterimol/B3: 4.40932
  Sterimol/B4: 5.04269  Sterimol/L: 12.2054 
 
 Surface and Volume Properties
  Accessible surface: 421.444  Positive charged surface: 227.328  Negative charged surface: 194.116  Volume: 213.75
  Hydrophobic surface: 339.941  Hydrophilic surface: 81.503
 
 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.