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ALFAAESAR-ZINC02575053

 MMsINC code: MMs00024053
Type: Neutral
Formula: C7H5F3O
SMILES:   Fc1c(F)cc(cc1F)CO
InChI:   InChI=1/C7H5F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2509 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: 0.0538192  Sterimol/B1: 2.22944  Sterimol/B2: 2.66898  Sterimol/B3: 2.87742
  Sterimol/B4: 5.06416  Sterimol/L: 9.97069 
 
 Surface and Volume Properties
  Accessible surface: 307.075  Positive charged surface: 148.446  Negative charged surface: 158.628  Volume: 126.625
  Hydrophobic surface: 243.832  Hydrophilic surface: 63.243
 
 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.