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


ASINEX-ZINC00796943

 MMsINC code: MMs00168107
Type: Neutral
Formula: C14H18Cl2N2O3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)C
InChI:   InChI=1/C14H18Cl2N2O3S/c1-17(10-14(19)18-7-3-2-4-8-18)22(20,21)13-9-11(15)5-6-12(13)16/h5-6,9H,2-4,7-8,10H2,1H3

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)=47.4925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.281 g/mol  logS: -3.58775  SlogP: 2.6264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838231  Sterimol/B1: 2.11673  Sterimol/B2: 3.0946  Sterimol/B3: 4.32228
  Sterimol/B4: 8.74271  Sterimol/L: 14.5859 
 
 Surface and Volume Properties
  Accessible surface: 549.861  Positive charged surface: 305.782  Negative charged surface: 244.079  Volume: 304.375
  Hydrophobic surface: 477.633  Hydrophilic surface: 72.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.