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


IFLAB-ZINC04850463

 MMsINC code: MMs02064473
Type: Neutral
Formula: C16H24N2O4S2
SMILES:   s1cccc1S(=O)(=O)N1CCOC12CCN(CC2)C(=O)C(C)(C)C
InChI:   InChI=1/C16H24N2O4S2/c1-15(2,3)14(19)17-8-6-16(7-9-17)18(10-11-22-16)24(20,21)13-5-4-12-23-13/h4-5,12H,6-11H2,1-3H3

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)=272.682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.51 g/mol  logS: -2.84252  SlogP: 2.1338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189588  Sterimol/B1: 4.05077  Sterimol/B2: 4.07676  Sterimol/B3: 5.10478
  Sterimol/B4: 5.90319  Sterimol/L: 12.8028 
 
 Surface and Volume Properties
  Accessible surface: 530.177  Positive charged surface: 323.629  Negative charged surface: 206.548  Volume: 324.625
  Hydrophobic surface: 419.396  Hydrophilic surface: 110.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.