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


NCID-ZINC01865931

 MMsINC code: MMs02375131
Type: Neutral
Formula: C23H17ClFN3O3S
SMILES:   Clc1n(c2c(cccc2)c1\C=N\NS(=O)(=O)c1ccc(cc1)C)C(=O)c1ccccc1F
InChI:   InChI=1/C23H17ClFN3O3S/c1-15-10-12-16(13-11-15)32(30,31)27-26-14-19-17-6-3-5-9-21(17)28(22(19)24)23(29)18-7-2-4-8-20(18)25/h2-14,27H,1H3/b26-14+

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)=137.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.924 g/mol  logS: -7.66621  SlogP: 4.74312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14813  Sterimol/B1: 2.21079  Sterimol/B2: 4.25178  Sterimol/B3: 7.32714
  Sterimol/B4: 8.6478  Sterimol/L: 15.3597 
 
 Surface and Volume Properties
  Accessible surface: 701.655  Positive charged surface: 324.206  Negative charged surface: 372.795  Volume: 402.5
  Hydrophobic surface: 568.827  Hydrophilic surface: 132.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.