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


NCID-ZINC01679074

 MMsINC code: MMs02313685
Type: Neutral
Formula: C11H24O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)C)(CCCC)CCCC)C
InChI:   InChI=1/C11H24O4S2/c1-5-7-9-11(10-8-6-2,16(3,12)13)17(4,14)15/h5-10H2,1-4H3

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)=55.2003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.441 g/mol  logS: -2.98768  SlogP: 2.1523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115751  Sterimol/B1: 3.0707  Sterimol/B2: 3.86641  Sterimol/B3: 4.9086
  Sterimol/B4: 5.29095  Sterimol/L: 14.7116 
 
 Surface and Volume Properties
  Accessible surface: 473.461  Positive charged surface: 284.67  Negative charged surface: 188.791  Volume: 260.75
  Hydrophobic surface: 336.976  Hydrophilic surface: 136.485
 
 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.