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ACROSORGANICS-ZINC00164568

 MMsINC code: MMs00006201
Type: Neutral
Formula: C7H7FO
SMILES:   Fc1ccccc1CO
InChI:   InChI=1/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.589 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: 0.0243676  Sterimol/B1: 2.37387  Sterimol/B2: 2.37623  Sterimol/B3: 2.48989
  Sterimol/B4: 5.32728  Sterimol/L: 9.72094 
 
 Surface and Volume Properties
  Accessible surface: 296.005  Positive charged surface: 169.975  Negative charged surface: 126.03  Volume: 120
  Hydrophobic surface: 239.189  Hydrophilic surface: 56.816
 
 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.