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PUBCHEM-ZINC02387157

 MMsINC code: MMs02886626
Type: Neutral
Formula: C13H9F2O6P
SMILES:   P(Oc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)(O)(O)=O
InChI:   InChI=1/C13H9F2O6P/c14-8-2-3-9(11(15)6-8)7-1-4-12(21-22(18,19)20)10(5-7)13(16)17/h1-6H,(H,16,17)(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=-7.86756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.179 g/mol  logS: -3.8634  SlogP: 1.7313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481489  Sterimol/B1: 2.27706  Sterimol/B2: 2.82295  Sterimol/B3: 4.18754
  Sterimol/B4: 6.805  Sterimol/L: 15.4411 
 
 Surface and Volume Properties
  Accessible surface: 492.161  Positive charged surface: 226.714  Negative charged surface: 260.44  Volume: 248.875
  Hydrophobic surface: 273.527  Hydrophilic surface: 218.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs02886627
PUBCHEM-ZINC02387157