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


PUBCHEM-ZINC05674110

 MMsINC code: MMs03343283
Type: Neutral
Formula: C15H9Cl3N2OS2
SMILES:   Clc1cc(Cl)ccc1-c1nnsc1S(=O)Cc1ccc(Cl)cc1
InChI:   InChI=1/C15H9Cl3N2OS2/c16-10-3-1-9(2-4-10)8-23(21)15-14(19-20-22-15)12-6-5-11(17)7-13(12)18/h1-7H,8H2/t23-/m1/s1

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)=70.3307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.741 g/mol  logS: -7.04653  SlogP: 5.7395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.093395  Sterimol/B1: 3.75653  Sterimol/B2: 4.11864  Sterimol/B3: 5.00246
  Sterimol/B4: 7.20105  Sterimol/L: 14.1855 
 
 Surface and Volume Properties
  Accessible surface: 575.148  Positive charged surface: 212.431  Negative charged surface: 362.717  Volume: 314.5
  Hydrophobic surface: 503.243  Hydrophilic surface: 71.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.