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NCID-ZINC00967759

MMsINC code: MMs02218125

Type: Neutral
Formula: C6H5F
SMILES:   Fc1ccccc1
InChI:   InChI=1/C6H5F/c7-6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=14.3984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 96.104 g/mol  logS: -1.67986  SlogP: 1.8257  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.45722e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09896  Sterimol/B3: 3.61656
  Sterimol/B4: 3.62312  Sterimol/L: 8.17756 
 
 Surface and Volume Properties
  Accessible surface: 253.905  Positive charged surface: 119.454  Negative charged surface: 134.451  Volume: 96.875
  Hydrophobic surface: 253.905  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.