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ACROSORGANICS-ZINC00157464

 MMsINC code: MMs00005671
Type: Neutral
Formula: C7H7FO
SMILES:   Fc1ccc(cc1)CO
InChI:   InChI=1/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.9317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.13 g/mol  logS: -1.45088  SlogP: 1.5844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547811  Sterimol/B1: 2.23473  Sterimol/B2: 2.42182  Sterimol/B3: 2.87232
  Sterimol/B4: 4.81782  Sterimol/L: 9.96865 
 
 Surface and Volume Properties
  Accessible surface: 295.781  Positive charged surface: 168.526  Negative charged surface: 127.254  Volume: 121.5
  Hydrophobic surface: 231.815  Hydrophilic surface: 63.966
 
 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.