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APOLLO-ZINC00393902

 MMsINC code: MMs00048772
Type: Neutral
Formula: C8H9FO
SMILES:   Fc1ccc(OCC)cc1
InChI:   InChI=1/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.157 g/mol  logS: -2.05745  SlogP: 2.2244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258725  Sterimol/B1: 2.37546  Sterimol/B2: 2.37647  Sterimol/B3: 3.67354
  Sterimol/B4: 4.04579  Sterimol/L: 11.3712 
 
 Surface and Volume Properties
  Accessible surface: 331.495  Positive charged surface: 194.317  Negative charged surface: 137.178  Volume: 137.25
  Hydrophobic surface: 300.849  Hydrophilic surface: 30.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.