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


ASINEX-ZINC00899576

 MMsINC code: MMs00212150
Type: Neutral
Formula: C16H16ClFN2O4S2
SMILES:   Clc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChI:   InChI=1/C16H16ClFN2O4S2/c17-13-1-5-15(6-2-13)25(21,22)19-9-11-20(12-10-19)26(23,24)16-7-3-14(18)4-8-16/h1-8H,9-12H2

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)=56.5308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.897 g/mol  logS: -4.18445  SlogP: 2.1743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055102  Sterimol/B1: 2.4199  Sterimol/B2: 3.74565  Sterimol/B3: 4.34349
  Sterimol/B4: 4.8186  Sterimol/L: 19.1501 
 
 Surface and Volume Properties
  Accessible surface: 596.207  Positive charged surface: 270.22  Negative charged surface: 325.987  Volume: 334.125
  Hydrophobic surface: 489.481  Hydrophilic surface: 106.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.