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


ASINEX-ZINC06677974

 MMsINC code: MMs00442362
Type: Neutral
Formula: C17H16ClN3O4S
SMILES:   Clc1ccc(cc1)-c1nc(on1)CCNS(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C17H16ClN3O4S/c1-24-14-6-8-15(9-7-14)26(22,23)19-11-10-16-20-17(21-25-16)12-2-4-13(18)5-3-12/h2-9,19H,10-11H2,1H3

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)=62.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.851 g/mol  logS: -5.63575  SlogP: 2.91957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622677  Sterimol/B1: 2.29023  Sterimol/B2: 3.84793  Sterimol/B3: 4.20484
  Sterimol/B4: 8.97305  Sterimol/L: 18.4325 
 
 Surface and Volume Properties
  Accessible surface: 643.174  Positive charged surface: 338.396  Negative charged surface: 304.778  Volume: 333.75
  Hydrophobic surface: 501.426  Hydrophilic surface: 141.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.