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


NCID-ZINC01568273

 MMsINC code: MMs02229193
Type: Neutral
Formula: C12H26O4S2
SMILES:   S(=O)(=O)(CCCCCCCCCCS(=O)(=O)C)C
InChI:   InChI=1/C12H26O4S2/c1-17(13,14)11-9-7-5-3-4-6-8-10-12-18(2,15)16/h3-12H2,1-2H3

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)=12.4282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.468 g/mol  logS: -2.68084  SlogP: 2.1964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193961  Sterimol/B1: 2.80854  Sterimol/B2: 3.03559  Sterimol/B3: 3.03642
  Sterimol/B4: 3.73545  Sterimol/L: 21.7675 
 
 Surface and Volume Properties
  Accessible surface: 592.382  Positive charged surface: 382.572  Negative charged surface: 209.81  Volume: 286.75
  Hydrophobic surface: 456.886  Hydrophilic surface: 135.496
 
 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.