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PUBCHEM-ZINC02047569

 MMsINC code: MMs02865453
Type: Neutral
Formula: C7H7O5PS
SMILES:   SC(=O)c1ccccc1OP(O)(O)=O
InChI:   InChI=1/C7H7O5PS/c8-7(14)5-3-1-2-4-6(5)12-13(9,10)11/h1-4H,(H,8,14)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-21.4848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.168 g/mol  logS: -2.22699  SlogP: 0.1579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531609  Sterimol/B1: 2.9035  Sterimol/B2: 3.06215  Sterimol/B3: 3.32521
  Sterimol/B4: 7.04562  Sterimol/L: 10.3705 
 
 Surface and Volume Properties
  Accessible surface: 380.936  Positive charged surface: 165.299  Negative charged surface: 215.637  Volume: 176.625
  Hydrophobic surface: 169.44  Hydrophilic surface: 211.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.