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


CHEMDIV-ZINC01236416

MMsINC code: MMs00864624

Type: Neutral
Formula: C19H14FNS2
SMILES:   S1c2c(N=C(CC1c1ccccc1F)c1sccc1)cccc2
InChI:   InChI=1/C19H14FNS2/c20-14-7-2-1-6-13(14)19-12-16(17-10-5-11-22-17)21-15-8-3-4-9-18(15)23-19/h1-11,19H,12H2/t19-/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)=100.929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.458 g/mol  logS: -6.53013  SlogP: 6.3406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612327  Sterimol/B1: 2.37207  Sterimol/B2: 4.27592  Sterimol/B3: 5.49102
  Sterimol/B4: 8.24324  Sterimol/L: 14.168 
 
 Surface and Volume Properties
  Accessible surface: 543.842  Positive charged surface: 253.14  Negative charged surface: 290.702  Volume: 308.625
  Hydrophobic surface: 516.783  Hydrophilic surface: 27.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.