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


PUBCHEM-ZINC03620824

 MMsINC code: MMs03024194
Type: Neutral
Formula: C10H23NO4S2
SMILES:   S(S(O)(=O)=O)CCNCCCCCCCCO
InChI:   InChI=1/C10H23NO4S2/c12-9-6-4-2-1-3-5-7-11-8-10-16-17(13,14)15/h11-12H,1-10H2,(H,13,14,15)

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)=-9.97833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.429 g/mol  logS: -2.11681  SlogP: 0.8792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301141  Sterimol/B1: 2.77633  Sterimol/B2: 3.31516  Sterimol/B3: 3.42203
  Sterimol/B4: 3.95021  Sterimol/L: 20.2684 
 
 Surface and Volume Properties
  Accessible surface: 559.298  Positive charged surface: 387.975  Negative charged surface: 171.323  Volume: 263.5
  Hydrophobic surface: 330.449  Hydrophilic surface: 228.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.