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


ASINEX-ZINC00933113

 MMsINC code: MMs00225703
Type: Neutral
Formula: C20H18ClFN2O4S2
SMILES:   Clc1ccccc1CN(S(=O)(=O)c1ccc(S(=O)(=O)N)cc1)Cc1ccc(F)cc1
InChI:   InChI=1/C20H18ClFN2O4S2/c21-20-4-2-1-3-16(20)14-24(13-15-5-7-17(22)8-6-15)30(27,28)19-11-9-18(10-12-19)29(23,25)26/h1-12H,13-14H2,(H2,23,25,26)

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)=69.0788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.957 g/mol  logS: -6.09012  SlogP: 4.0504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086261  Sterimol/B1: 2.81171  Sterimol/B2: 3.66036  Sterimol/B3: 3.89001
  Sterimol/B4: 8.24134  Sterimol/L: 17.5566 
 
 Surface and Volume Properties
  Accessible surface: 614.888  Positive charged surface: 303.826  Negative charged surface: 311.062  Volume: 383
  Hydrophobic surface: 439.991  Hydrophilic surface: 174.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00225704
ASINEX-ZINC00933113