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


ASINEX-ZINC00915917

MMsINC code: MMs00218404

Type: Neutral
Formula: C17H13ClN2O4S
SMILES:   Clc1ccc(cc1)-c1oc(cc1)C(=O)Nc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C17H13ClN2O4S/c18-12-3-1-11(2-4-12)15-9-10-16(24-15)17(21)20-13-5-7-14(8-6-13)25(19,22)23/h1-10H,(H,20,21)(H2,19,22,23)

Download   format file 
Drug Similarity  |  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)=48.4852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.82 g/mol  logS: -6.46252  SlogP: 3.4997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146509  Sterimol/B1: 2.79578  Sterimol/B2: 3.3298  Sterimol/B3: 3.44621
  Sterimol/B4: 6.45383  Sterimol/L: 19.8521 
 
 Surface and Volume Properties
  Accessible surface: 606.675  Positive charged surface: 276.302  Negative charged surface: 330.373  Volume: 314.625
  Hydrophobic surface: 425.842  Hydrophilic surface: 180.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00218405
ASINEX-ZINC00915917