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


ENAMINE-ZINC03532627

 MMsINC code: MMs01494493
Type: Neutral
Formula: C12H8F3NO2S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1c(F)cccc1F
InChI:   InChI=1/C12H8F3NO2S/c13-8-4-1-2-7-11(8)16-19(17,18)12-9(14)5-3-6-10(12)15/h1-7,16H

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)=27.0585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.261 g/mol  logS: -3.93166  SlogP: 2.9047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256757  Sterimol/B1: 3.38013  Sterimol/B2: 3.3802  Sterimol/B3: 4.73132
  Sterimol/B4: 5.75754  Sterimol/L: 11.1543 
 
 Surface and Volume Properties
  Accessible surface: 426.623  Positive charged surface: 187.63  Negative charged surface: 238.993  Volume: 220.125
  Hydrophobic surface: 350.181  Hydrophilic surface: 76.442
 
 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.