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


IFLAB-ZINC04369207

 MMsINC code: MMs02048317
Type: Neutral
Formula: C11H10ClN3O3S
SMILES:   Clc1cc(NC(=O)c2nsnc2)c(OC)cc1OC
InChI:   InChI=1/C11H10ClN3O3S/c1-17-9-4-10(18-2)7(3-6(9)12)14-11(16)8-5-13-19-15-8/h3-5H,1-2H3,(H,14,16)

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)=107.76 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.738 g/mol  logS: -3.03711  SlogP: 2.3043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174108  Sterimol/B1: 2.39411  Sterimol/B2: 2.53315  Sterimol/B3: 2.80993
  Sterimol/B4: 8.66355  Sterimol/L: 15.3319 
 
 Surface and Volume Properties
  Accessible surface: 495.027  Positive charged surface: 342.959  Negative charged surface: 152.068  Volume: 239.875
  Hydrophobic surface: 310.821  Hydrophilic surface: 184.206
 
 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.