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


CHEMDIV-ZINC05150555

 MMsINC code: MMs00992935
Type: Neutral
Formula: C18H11Cl2NOS2
SMILES:   Clc1cc(NC(=O)c2sc-3c(c2)CSc2cc(Cl)ccc2-3)ccc1
InChI:   InChI=1/C18H11Cl2NOS2/c19-11-2-1-3-13(7-11)21-18(22)16-6-10-9-23-15-8-12(20)4-5-14(15)17(10)24-16/h1-8H,9H2,(H,21,22)

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)=71.4551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.33 g/mol  logS: -8.1691  SlogP: 6.8463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114928  Sterimol/B1: 2.67367  Sterimol/B2: 3.15382  Sterimol/B3: 3.36171
  Sterimol/B4: 6.62083  Sterimol/L: 18.9617 
 
 Surface and Volume Properties
  Accessible surface: 592.098  Positive charged surface: 225.036  Negative charged surface: 367.062  Volume: 326.125
  Hydrophobic surface: 502.105  Hydrophilic surface: 89.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.