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ALFAAESAR-ZINC00403442

 MMsINC code: MMs00020996
Type: Neutral
Formula: C7H5F3O
SMILES:   Fc1cc(F)c(F)cc1CO
InChI:   InChI=1/C7H5F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.6222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.11 g/mol  logS: -2.04084  SlogP: 1.8626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235383  Sterimol/B1: 2.37371  Sterimol/B2: 2.3764  Sterimol/B3: 2.91267
  Sterimol/B4: 5.11865  Sterimol/L: 9.99195 
 
 Surface and Volume Properties
  Accessible surface: 303.515  Positive charged surface: 150.213  Negative charged surface: 153.302  Volume: 126.25
  Hydrophobic surface: 248.914  Hydrophilic surface: 54.601
 
 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.