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


NCID-ZINC04900664

 MMsINC code: MMs02415145
Type: Neutral
Formula: C8H18N2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)CC)CC1)CC
InChI:   InChI=1/C8H18N2O4S2/c1-3-15(11,12)9-5-7-10(8-6-9)16(13,14)4-2/h3-8H2,1-2H3

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)=16.3554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.374 g/mol  logS: -0.16188  SlogP: -0.6966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653087  Sterimol/B1: 3.28142  Sterimol/B2: 3.33187  Sterimol/B3: 3.58519
  Sterimol/B4: 3.58587  Sterimol/L: 15.3472 
 
 Surface and Volume Properties
  Accessible surface: 455.753  Positive charged surface: 299.762  Negative charged surface: 155.991  Volume: 228.375
  Hydrophobic surface: 306.565  Hydrophilic surface: 149.188
 
 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.