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


NANOSIN-ZINC01882028

 MMsINC code: MMs02199613
Type: Neutral
Formula: C14H11Cl3O3S
SMILES:   Clc1cc(Cl)cc(Cl)c1OS(=O)(=O)CCc1ccccc1
InChI:   InChI=1/C14H11Cl3O3S/c15-11-8-12(16)14(13(17)9-11)20-21(18,19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2

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)=72.411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.664 g/mol  logS: -5.69059  SlogP: 4.59807  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0841105  Sterimol/B1: 3.34743  Sterimol/B2: 4.03675  Sterimol/B3: 4.07341
  Sterimol/B4: 6.57957  Sterimol/L: 14.0034 
 
 Surface and Volume Properties
  Accessible surface: 533.69  Positive charged surface: 179.404  Negative charged surface: 354.286  Volume: 285.375
  Hydrophobic surface: 471.154  Hydrophilic surface: 62.536
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.