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PUBCHEM-ZINC05830189

 MMsINC code: MMs03405055
Type: Ionized
Formula: C3H5O6PS-2
SMILES:   SC(=O)C(O)COP(=O)([O-])[O-]
InChI:   InChI=1/C3H7O6PS/c4-2(3(5)11)1-9-10(6,7)8/h2,4H,1H2,(H,5,11)(H2,6,7,8)/p-2/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=0.187949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.107 g/mol  logS: -0.49185  SlogP: -3.4212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140492  Sterimol/B1: 2.48902  Sterimol/B2: 3.39889  Sterimol/B3: 3.85773
  Sterimol/B4: 4.12293  Sterimol/L: 10.882 
 
 Surface and Volume Properties
  Accessible surface: 328.389  Positive charged surface: 102.446  Negative charged surface: 225.943  Volume: 136.25
  Hydrophobic surface: 66.1855  Hydrophilic surface: 262.2035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 3  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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Parent related molecule:


MMs03405054
PUBCHEM-ZINC05830189