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PUBCHEM-ZINC06499676

 MMsINC code: MMs03769114
Type: Ionized
Formula: C3H6O6P-
SMILES:   P(O)(O)(=O)C(O)(C(=O)[O-])C
InChI:   InChI=1/C3H7O6P/c1-3(6,2(4)5)10(7,8)9/h6H,1H3,(H,4,5)(H2,7,8,9)/p-1/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-32.1875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.049 g/mol  logS: 0.64206  SlogP: -3.4477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.464667  Sterimol/B1: 2.11944  Sterimol/B2: 2.72215  Sterimol/B3: 4.2374
  Sterimol/B4: 4.74625  Sterimol/L: 8.31326 
 
 Surface and Volume Properties
  Accessible surface: 293.54  Positive charged surface: 127.954  Negative charged surface: 165.585  Volume: 115.875
  Hydrophobic surface: 50.2887  Hydrophilic surface: 243.2513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 2  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:


MMs03769113
PUBCHEM-ZINC06499676