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


ASINEX-ZINC06679776

 MMsINC code: MMs00443786
Type: Neutral
Formula: C14H22N2O4S2
SMILES:   s1c(C)c(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C
InChI:   InChI=1/C14H22N2O4S2/c1-10-12(22(18,19)16-5-7-20-8-6-16)9-11(21-10)13(17)15-14(2,3)4/h9H,5-8H2,1-4H3,(H,15,17)

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)=65.4414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.472 g/mol  logS: -2.83774  SlogP: 1.60572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594609  Sterimol/B1: 2.49629  Sterimol/B2: 3.36242  Sterimol/B3: 4.10208
  Sterimol/B4: 7.04233  Sterimol/L: 16.3259 
 
 Surface and Volume Properties
  Accessible surface: 557.394  Positive charged surface: 352.058  Negative charged surface: 205.336  Volume: 307.5
  Hydrophobic surface: 410.669  Hydrophilic surface: 146.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.