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


ASINEX-ZINC00898112

 MMsINC code: MMs00211793
Type: Ionized
Formula: C13H11Cl2N2O4S2-
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(S(=O)([O-])=[NH])cc1
InChI:   InChI=1/C13H11Cl2N2O4S2/c14-10-3-6-12(15)13(7-10)23(20,21)17-8-9-1-4-11(5-2-9)22(16,18)19/h1-7,17H,8H2,(H-,16,18,19)/q-1

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)=11.7276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.279 g/mol  logS: -4.71034  SlogP: 2.7099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907749  Sterimol/B1: 3.34504  Sterimol/B2: 4.02213  Sterimol/B3: 4.50038
  Sterimol/B4: 5.78712  Sterimol/L: 15.9865 
 
 Surface and Volume Properties
  Accessible surface: 567.566  Positive charged surface: 184.037  Negative charged surface: 383.529  Volume: 301
  Hydrophobic surface: 383.459  Hydrophilic surface: 184.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  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:  
   
Parent related molecule:


MMs00211792
ASINEX-ZINC00898112