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


ASINEX-ZINC00209890

 MMsINC code: MMs00092943
Type: Neutral
Formula: C11H14FNO2S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C11H14FNO2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2

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)=16.4748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.302 g/mol  logS: -2.34757  SlogP: 2.0003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106055  Sterimol/B1: 2.42467  Sterimol/B2: 2.93152  Sterimol/B3: 4.3051
  Sterimol/B4: 4.82586  Sterimol/L: 13.0445 
 
 Surface and Volume Properties
  Accessible surface: 420.879  Positive charged surface: 248.323  Negative charged surface: 172.556  Volume: 214.75
  Hydrophobic surface: 367.222  Hydrophilic surface: 53.657
 
 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.