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PUBCHEM-ZINC05650820

 MMsINC code: MMs03337130
Type: Neutral
Formula: C8H20O4P2S4
SMILES:   S(SP(=S)(OCC)OCC)P(=S)(OCC)OCC
InChI:   InChI=1/C8H20O4P2S4/c1-5-9-13(15,10-6-2)17-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=17.7296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.456 g/mol  logS: -5.76714  SlogP: 4.9628  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.274444  Sterimol/B1: 2.16925  Sterimol/B2: 2.30752  Sterimol/B3: 7.06314
  Sterimol/B4: 7.79796  Sterimol/L: 15.7128 
 
 Surface and Volume Properties
  Accessible surface: 616.475  Positive charged surface: 359.967  Negative charged surface: 256.507  Volume: 312.75
  Hydrophobic surface: 354.683  Hydrophilic surface: 261.792
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.