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PUBCHEM-ZINC05828254

 MMsINC code: MMs03403801
Type: Neutral
Formula: C3H7O4S+
SMILES:   [S+](=O)CC(O)(O)CO
InChI:   InChI=1/C3H7O4S/c4-1-3(5,6)2-8-7/h4-6H,1-2H2/q+1

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Potential Energy
Epot(MMFF94)=60.1195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.151 g/mol  logS: -0.01166  SlogP: -1.9123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217861  Sterimol/B1: 2.11458  Sterimol/B2: 3.30435  Sterimol/B3: 3.30489
  Sterimol/B4: 3.49966  Sterimol/L: 10.0265 
 
 Surface and Volume Properties
  Accessible surface: 286.238  Positive charged surface: 195.079  Negative charged surface: 91.1586  Volume: 108.875
  Hydrophobic surface: 71.8741  Hydrophilic surface: 214.3639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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: no related molecules available.