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APOLLO-ZINC02512465

 MMsINC code: MMs00052480
Type: Neutral
Formula: C7H7FO
SMILES:   Fc1cc(O)ccc1C
InChI:   InChI=1/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.13 g/mol  logS: -1.47838  SlogP: 1.83972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323478  Sterimol/B1: 2.02408  Sterimol/B2: 2.49316  Sterimol/B3: 3.59612
  Sterimol/B4: 3.88396  Sterimol/L: 9.37551 
 
 Surface and Volume Properties
  Accessible surface: 296.119  Positive charged surface: 164.025  Negative charged surface: 132.094  Volume: 119
  Hydrophobic surface: 244.849  Hydrophilic surface: 51.27
 
 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.