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


ASINEX-ZINC00796936

 MMsINC code: MMs00168104
Type: Neutral
Formula: C14H18Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCC1OCCC1)C
InChI:   InChI=1/C14H18Cl2N2O4S/c1-18(9-14(19)17-8-11-3-2-6-22-11)23(20,21)13-7-10(15)4-5-12(13)16/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)/t11-/m0/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)=58.1383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.28 g/mol  logS: -3.63461  SlogP: 1.9091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565157  Sterimol/B1: 2.13365  Sterimol/B2: 3.353  Sterimol/B3: 4.25713
  Sterimol/B4: 8.48342  Sterimol/L: 17.2611 
 
 Surface and Volume Properties
  Accessible surface: 590.63  Positive charged surface: 341.703  Negative charged surface: 248.927  Volume: 315.125
  Hydrophobic surface: 487.524  Hydrophilic surface: 103.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  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:  
   

Ions/Tautomers related molecules: no related molecules available.