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


ASINEX-ZINC00825806

 MMsINC code: MMs00182895
Type: Neutral
Formula: C19H16ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(cc3)C)ccc2)cc1
InChI:   InChI=1/C19H16ClNO4S2/c1-14-5-9-16(10-6-14)21-27(24,25)19-4-2-3-18(13-19)26(22,23)17-11-7-15(20)8-12-17/h2-13,21H,1H3

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)=66.2103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.925 g/mol  logS: -6.21948  SlogP: 4.28202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082645  Sterimol/B1: 2.65994  Sterimol/B2: 4.1331  Sterimol/B3: 4.1922
  Sterimol/B4: 6.55575  Sterimol/L: 19.0102 
 
 Surface and Volume Properties
  Accessible surface: 631.263  Positive charged surface: 271.794  Negative charged surface: 359.468  Volume: 353.5
  Hydrophobic surface: 494.398  Hydrophilic surface: 136.865
 
 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: no related molecules available.