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


NCID-ZINC01693865

 MMsINC code: MMs02325278
Type: Neutral
Formula: C8H20O5P2S2
SMILES:   S=P(OCC)(OCC)OP(=S)(OCC)OCC
InChI:   InChI=1/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3

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)=-17.0028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.323 g/mol  logS: -3.8141  SlogP: 3.598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787875  Sterimol/B1: 2.65307  Sterimol/B2: 3.00414  Sterimol/B3: 5.20186
  Sterimol/B4: 8.32521  Sterimol/L: 14.3944 
 
 Surface and Volume Properties
  Accessible surface: 542.118  Positive charged surface: 338.778  Negative charged surface: 203.341  Volume: 279
  Hydrophobic surface: 330.039  Hydrophilic surface: 212.079
 
 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.