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


ASINEX-ZINC00846291

 MMsINC code: MMs00190197
Type: Ionized
Formula: C15H12Cl2NO4S-
SMILES:   Clc1ccc(cc1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-]
InChI:   InChI=1/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/p-1/t14-/m1/s1

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)=37.0275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.236 g/mol  logS: -4.7771  SlogP: 1.63287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293883  Sterimol/B1: 2.34393  Sterimol/B2: 3.16634  Sterimol/B3: 4.69658
  Sterimol/B4: 7.46128  Sterimol/L: 13.029 
 
 Surface and Volume Properties
  Accessible surface: 497.021  Positive charged surface: 192.515  Negative charged surface: 304.507  Volume: 304.125
  Hydrophobic surface: 349.201  Hydrophilic surface: 147.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs00190196
ASINEX-ZINC00846291