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


ASINEX-ZINC05007519

 MMsINC code: MMs00434810
Type: Neutral
Formula: C19H16Cl2N2O2S
SMILES:   Clc1c2c(sc1C(=O)Nc1cc(Cl)c(N3CCOCC3)cc1)cccc2
InChI:   InChI=1/C19H16Cl2N2O2S/c20-14-11-12(5-6-15(14)23-7-9-25-10-8-23)22-19(24)18-17(21)13-3-1-2-4-16(13)26-18/h1-6,11H,7-10H2,(H,22,24)

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)=151.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.321 g/mol  logS: -6.69569  SlogP: 5.297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265212  Sterimol/B1: 3.46695  Sterimol/B2: 3.51608  Sterimol/B3: 3.81688
  Sterimol/B4: 5.72294  Sterimol/L: 19.2899 
 
 Surface and Volume Properties
  Accessible surface: 623.144  Positive charged surface: 327.759  Negative charged surface: 289.404  Volume: 346.75
  Hydrophobic surface: 566.04  Hydrophilic surface: 57.104
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.