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


ASINEX-ZINC00470147

 MMsINC code: MMs00136381
Type: Neutral
Formula: C12H10ClNO4S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccccc2C(OC)=O)cc1
InChI:   InChI=1/C12H10ClNO4S2/c1-18-12(15)8-4-2-3-5-9(8)14-20(16,17)11-7-6-10(13)19-11/h2-7,14H,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)=57.515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.8 g/mol  logS: -4.43901  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294193  Sterimol/B1: 2.2659  Sterimol/B2: 4.95641  Sterimol/B3: 5.08312
  Sterimol/B4: 7.76992  Sterimol/L: 12.5942 
 
 Surface and Volume Properties
  Accessible surface: 499.911  Positive charged surface: 236.503  Negative charged surface: 263.409  Volume: 262.125
  Hydrophobic surface: 400.84  Hydrophilic surface: 99.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.