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PUBCHEM-ZINC05828218

 MMsINC code: MMs03403771
Type: Neutral
Formula: C2H5O4PS
SMILES:   S=P(O)(O)CC(O)=O
InChI:   InChI=1/C2H5O4PS/c3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,8)

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Potential Energy
Epot(MMFF94)=-40.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.098 g/mol  logS: -0.17014  SlogP: -0.6349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217423  Sterimol/B1: 2.40199  Sterimol/B2: 2.85415  Sterimol/B3: 3.95627
  Sterimol/B4: 4.9255  Sterimol/L: 9.02563 
 
 Surface and Volume Properties
  Accessible surface: 290.166  Positive charged surface: 135.533  Negative charged surface: 154.633  Volume: 109.75
  Hydrophobic surface: 43.4075  Hydrophilic surface: 246.7585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03403772
PUBCHEM-ZINC05828218