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


NCID-ZINC01673765

 MMsINC code: MMs02309567
Type: Neutral
Formula: C11H5F6NS
SMILES:   s1c2c(nc1C=C(C(F)(F)F)C(F)(F)F)cccc2
InChI:   InChI=1/C11H5F6NS/c12-10(13,14)8(11(15,16)17)5-9-18-6-3-1-2-4-7(6)19-9/h1-5H

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)=25.2194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.222 g/mol  logS: -4.55676  SlogP: 5.6441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259823  Sterimol/B1: 2.45175  Sterimol/B2: 2.67397  Sterimol/B3: 3.09518
  Sterimol/B4: 5.54094  Sterimol/L: 13.1735 
 
 Surface and Volume Properties
  Accessible surface: 423.189  Positive charged surface: 123.615  Negative charged surface: 299.574  Volume: 206.875
  Hydrophobic surface: 230.469  Hydrophilic surface: 192.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.