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PUBCHEM-ZINC02547810

 MMsINC code: MMs02899014
Type: Neutral
Formula: C8H12O6P2
SMILES:   P(O)(O)(=O)Cc1ccc(cc1)CP(O)(O)=O
InChI:   InChI=1/C8H12O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-45.9954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.126 g/mol  logS: 0.00704  SlogP: -0.5656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724315  Sterimol/B1: 2.41997  Sterimol/B2: 2.88699  Sterimol/B3: 3.38355
  Sterimol/B4: 4.81561  Sterimol/L: 14.7422 
 
 Surface and Volume Properties
  Accessible surface: 441.234  Positive charged surface: 234.524  Negative charged surface: 206.71  Volume: 208.375
  Hydrophobic surface: 183.364  Hydrophilic surface: 257.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.