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APOLLO-ZINC02382076

 MMsINC code: MMs00051733
Type: Neutral
Formula: C8H9FO
SMILES:   Fc1ccc(cc1C)CO
InChI:   InChI=1/C8H9FO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.0951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.157 g/mol  logS: -1.61135  SlogP: 1.89282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0570173  Sterimol/B1: 2.43481  Sterimol/B2: 2.49827  Sterimol/B3: 2.75375
  Sterimol/B4: 5.69468  Sterimol/L: 9.96201 
 
 Surface and Volume Properties
  Accessible surface: 324.54  Positive charged surface: 196.36  Negative charged surface: 128.179  Volume: 137.125
  Hydrophobic surface: 261.416  Hydrophilic surface: 63.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.