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


ASINEX-ZINC01038963

 MMsINC code: MMs00228092
Type: Neutral
Formula: C10H5Cl2NOS2
SMILES:   Clc1cc(Cl)ccc1\C=C/1\SC(=S)NC\1=O
InChI:   InChI=1/C10H5Cl2NOS2/c11-6-2-1-5(7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-3+

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)=35.0477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.194 g/mol  logS: -5.81252  SlogP: 3.4822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495088  Sterimol/B1: 2.30557  Sterimol/B2: 2.52514  Sterimol/B3: 3.25185
  Sterimol/B4: 6.38454  Sterimol/L: 14.8161 
 
 Surface and Volume Properties
  Accessible surface: 444.937  Positive charged surface: 123.739  Negative charged surface: 321.199  Volume: 221.625
  Hydrophobic surface: 256.937  Hydrophilic surface: 188
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.