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MDPI-ZINC03847715

 MMsINC code: MMs02181225
Type: Neutral
Formula: C8H7FO
SMILES:   Fc1c2c(CC2O)ccc1
InChI:   InChI=1/C8H7FO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3,7,10H,4H2/t7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.141 g/mol  logS: -1.63475  SlogP: 1.51067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07462  Sterimol/B1: 2.54667  Sterimol/B2: 2.78504  Sterimol/B3: 3.44098
  Sterimol/B4: 4.62401  Sterimol/L: 9.09344 
 
 Surface and Volume Properties
  Accessible surface: 309.217  Positive charged surface: 122.769  Negative charged surface: 123.052  Volume: 129.125
  Hydrophobic surface: 256.327  Hydrophilic surface: 52.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.