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PUBCHEM-ZINC05701284

 MMsINC code: MMs03353418
Type: Neutral
Formula: C8H11O4PS3
SMILES:   S(SP(=S)(OC)OC)(=O)(=O)c1ccccc1
InChI:   InChI=1/C8H11O4PS3/c1-11-13(14,12-2)15-16(9,10)8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.0230057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.344 g/mol  logS: -4.01541  SlogP: 2.6258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171325  Sterimol/B1: 2.33607  Sterimol/B2: 3.37691  Sterimol/B3: 4.29469
  Sterimol/B4: 7.39896  Sterimol/L: 12.2789 
 
 Surface and Volume Properties
  Accessible surface: 435.89  Positive charged surface: 225.835  Negative charged surface: 210.054  Volume: 235.75
  Hydrophobic surface: 286.888  Hydrophilic surface: 149.002
 
 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
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Ions/Tautomers related molecules: no related molecules available.