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APOLLO-ZINC02560156

 MMsINC code: MMs00053787
Type: Neutral
Formula: C8H5F5O
SMILES:   Fc1c(F)c(ccc1CO)C(F)(F)F
InChI:   InChI=1/C8H5F5O/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-2,14H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.3096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.117 g/mol  logS: -2.80241  SlogP: 3.0538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367715  Sterimol/B1: 2.58396  Sterimol/B2: 2.63674  Sterimol/B3: 2.63939
  Sterimol/B4: 5.10724  Sterimol/L: 10.6433 
 
 Surface and Volume Properties
  Accessible surface: 340.776  Positive charged surface: 133.897  Negative charged surface: 206.878  Volume: 147.625
  Hydrophobic surface: 184.093  Hydrophilic surface: 156.683
 
 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.