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PUBCHEM-ZINC02008095

 MMsINC code: MMs02847451
Type: Neutral
Formula: C8H10FNO2
SMILES:   Fc1cc(ccc1O)C(O)CN
InChI:   InChI=1/C8H10FNO2/c9-6-3-5(8(12)4-10)1-2-7(6)11/h1-3,8,11-12H,4,10H2/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.7412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.171 g/mol  logS: -0.78029  SlogP: 0.6189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926443  Sterimol/B1: 2.442  Sterimol/B2: 2.72025  Sterimol/B3: 3.18414
  Sterimol/B4: 5.14901  Sterimol/L: 11.5255 
 
 Surface and Volume Properties
  Accessible surface: 351.87  Positive charged surface: 219.544  Negative charged surface: 132.326  Volume: 153.625
  Hydrophobic surface: 199.506  Hydrophilic surface: 152.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.