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SIAL-ZINC04829076

 MMsINC code: MMs03926248
Type: Neutral
Formula: C6H6FO3P
SMILES:   P(O)(O)(=O)c1ccccc1F
InChI:   InChI=1/C6H6FO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-33.7368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.083 g/mol  logS: -1.03986  SlogP: -0.4415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672742  Sterimol/B1: 2.4457  Sterimol/B2: 3.67746  Sterimol/B3: 3.70135
  Sterimol/B4: 3.7669  Sterimol/L: 10.0447 
 
 Surface and Volume Properties
  Accessible surface: 325.692  Positive charged surface: 148.269  Negative charged surface: 177.423  Volume: 136.125
  Hydrophobic surface: 192.79  Hydrophilic surface: 132.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.