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PUBCHEM-ZINC02510825

 MMsINC code: MMs02891008
Type: Neutral
Formula: C8H7FO
SMILES:   Fc1ccc(cc1)C1OC1
InChI:   InChI=1/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.4237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.141 g/mol  logS: -1.9449  SlogP: 1.9925  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0793  Sterimol/B1: 2.44739  Sterimol/B2: 2.65624  Sterimol/B3: 3.17701
  Sterimol/B4: 4.91682  Sterimol/L: 10.3948 
 
 Surface and Volume Properties
  Accessible surface: 310.043  Positive charged surface: 156.629  Negative charged surface: 153.414  Volume: 131.125
  Hydrophobic surface: 289.149  Hydrophilic surface: 20.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.