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PUBCHEM-ZINC04566978

 MMsINC code: MMs03135401
Type: Neutral
Formula: C8H19O3PS
SMILES:   SP(OC(CC)C)(OC(CC)C)=O
InChI:   InChI=1/C8H19O3PS/c1-5-7(3)10-12(9,13)11-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,9,13)/t7-,8+,12+

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Potential Energy
Epot(MMFF94)=3.2901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.277 g/mol  logS: -2.42414  SlogP: 2.5843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720766  Sterimol/B1: 2.29582  Sterimol/B2: 2.9841  Sterimol/B3: 3.63297
  Sterimol/B4: 6.11306  Sterimol/L: 11.9239 
 
 Surface and Volume Properties
  Accessible surface: 433.552  Positive charged surface: 278.869  Negative charged surface: 154.683  Volume: 217.625
  Hydrophobic surface: 287.488  Hydrophilic surface: 146.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.