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PUBCHEM-ZINC02037118

 MMsINC code: MMs02861679
Type: Neutral
Formula: C8H20O5P2S
SMILES:   S=P(OCC)(OCC)OP(OCC)(=O)CC
InChI:   InChI=1/C8H20O5P2S/c1-5-10-14(9,8-4)13-15(16,11-6-2)12-7-3/h5-8H2,1-4H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=-23.5965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.257 g/mol  logS: -2.30626  SlogP: 2.4798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108959  Sterimol/B1: 2.96077  Sterimol/B2: 4.28861  Sterimol/B3: 5.15395
  Sterimol/B4: 6.26308  Sterimol/L: 13.0416 
 
 Surface and Volume Properties
  Accessible surface: 523.61  Positive charged surface: 344.711  Negative charged surface: 178.899  Volume: 257.625
  Hydrophobic surface: 349.566  Hydrophilic surface: 174.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.