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PUBCHEM-ZINC05862004

 MMsINC code: MMs03422266
Type: Neutral
Formula: C8H11O4P
SMILES:   P(OCC)(O)(=O)c1ccc(O)cc1
InChI:   InChI=1/C8H11O4P/c1-2-12-13(10,11)8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=1.91885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.146 g/mol  logS: -1.05532  SlogP: 0.1692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478256  Sterimol/B1: 2.86939  Sterimol/B2: 3.0097  Sterimol/B3: 3.47881
  Sterimol/B4: 5.19083  Sterimol/L: 13.035 
 
 Surface and Volume Properties
  Accessible surface: 404.834  Positive charged surface: 238.557  Negative charged surface: 166.277  Volume: 177.875
  Hydrophobic surface: 248.979  Hydrophilic surface: 155.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.