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


ASINEX-ZINC04153117

 MMsINC code: MMs00311286
Type: Neutral
Formula: C10H22N2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)CCC)CC1)CCC
InChI:   InChI=1/C10H22N2O4S2/c1-3-9-17(13,14)11-5-7-12(8-6-11)18(15,16)10-4-2/h3-10H2,1-2H3

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)=16.1689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.428 g/mol  logS: -0.56542  SlogP: 0.0836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051447  Sterimol/B1: 3.02038  Sterimol/B2: 3.58449  Sterimol/B3: 3.58727
  Sterimol/B4: 4.09071  Sterimol/L: 18.0147 
 
 Surface and Volume Properties
  Accessible surface: 518.343  Positive charged surface: 354.454  Negative charged surface: 163.889  Volume: 263.25
  Hydrophobic surface: 368.276  Hydrophilic surface: 150.067
 
 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.