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PUBCHEM-ZINC06068741

 MMsINC code: MMs03521637
Type: Ionized
Formula: C8H7FNO6P-2
SMILES:   P(OCc1c(C=O)c(O)c(nc1F)C)(=O)([O-])[O-]
InChI:   InChI=1/C8H9FNO6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,13,14,15)/p-2

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Potential Energy
Epot(MMFF94)=-5.17733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.117 g/mol  logS: -0.39217  SlogP: -1.41128  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0489073  Sterimol/B1: 3.07606  Sterimol/B2: 3.41673  Sterimol/B3: 4.07923
  Sterimol/B4: 5.07815  Sterimol/L: 12.3303 
 
 Surface and Volume Properties
  Accessible surface: 401.137  Positive charged surface: 173.119  Negative charged surface: 228.019  Volume: 191.125
  Hydrophobic surface: 162.67  Hydrophilic surface: 238.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 3  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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Parent related molecule:


MMs03521636
PUBCHEM-ZINC06068741