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


PUBCHEM-ZINC05524805

 MMsINC code: MMs03297210
Type: Neutral
Formula: C8H10Cl3N3OS2
SMILES:   ClC(Cl)(Cl)C(Sc1sccn1)NC(=O)N(C)C
InChI:   InChI=1/C8H10Cl3N3OS2/c1-14(2)6(15)13-5(8(9,10)11)17-7-12-3-4-16-7/h3-5H,1-2H3,(H,13,15)/t5-/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)=26.5965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.679 g/mol  logS: -4.07394  SlogP: 3.6226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124042  Sterimol/B1: 2.06334  Sterimol/B2: 3.52023  Sterimol/B3: 3.95423
  Sterimol/B4: 8.07025  Sterimol/L: 12.4075 
 
 Surface and Volume Properties
  Accessible surface: 491.061  Positive charged surface: 234.959  Negative charged surface: 256.102  Volume: 253.375
  Hydrophobic surface: 269.315  Hydrophilic surface: 221.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.