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PUBCHEM-ZINC06068741

 MMsINC code: MMs03521636
Type: Neutral
Formula: C8H9FNO6P
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)

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Potential Energy
Epot(MMFF94)=-35.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.133 g/mol  logS: -0.24913  SlogP: -0.14728  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0749353  Sterimol/B1: 3.21704  Sterimol/B2: 3.22822  Sterimol/B3: 3.38044
  Sterimol/B4: 5.81362  Sterimol/L: 12.7599 
 
 Surface and Volume Properties
  Accessible surface: 429.734  Positive charged surface: 235.927  Negative charged surface: 193.807  Volume: 197.125
  Hydrophobic surface: 158.476  Hydrophilic surface: 271.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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


MMs03521637
PUBCHEM-ZINC06068741