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ACROSORGANICS-ZINC02242720

 MMsINC code: MMs00013264
Type: Neutral
Formula: C9H9F3O
SMILES:   FC(F)(F)c1ccccc1CCO
InChI:   InChI=1/C9H9F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4,13H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.164 g/mol  logS: -2.27392  SlogP: 2.55167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118791  Sterimol/B1: 2.47782  Sterimol/B2: 2.55036  Sterimol/B3: 3.03506
  Sterimol/B4: 6.19837  Sterimol/L: 10.8104 
 
 Surface and Volume Properties
  Accessible surface: 350.568  Positive charged surface: 165.895  Negative charged surface: 184.673  Volume: 161.125
  Hydrophobic surface: 211.834  Hydrophilic surface: 138.734
 
 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.