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PUBCHEM-ZINC02010921

 MMsINC code: MMs02849072
Type: Neutral
Formula: C8H10FNO
SMILES:   Fc1cc(ccc1)C(O)CN
InChI:   InChI=1/C8H10FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.7867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.172 g/mol  logS: -1.14224  SlogP: 0.9133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991958  Sterimol/B1: 2.54172  Sterimol/B2: 2.81361  Sterimol/B3: 3.26358
  Sterimol/B4: 5.07552  Sterimol/L: 10.9479 
 
 Surface and Volume Properties
  Accessible surface: 339.24  Positive charged surface: 202.608  Negative charged surface: 136.632  Volume: 149.5
  Hydrophobic surface: 237.022  Hydrophilic surface: 102.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.