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ALFAAESAR-ZINC04264794

 MMsINC code: MMs00024649
Type: Neutral
Formula: C8H4F4O
SMILES:   Fc1ccc(cc1C(F)(F)F)C=O
InChI:   InChI=1/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.111 g/mol  logS: -2.74252  SlogP: 2.9685  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0359503  Sterimol/B1: 2.63778  Sterimol/B2: 2.63934  Sterimol/B3: 3.32946
  Sterimol/B4: 4.78304  Sterimol/L: 10.0113 
 
 Surface and Volume Properties
  Accessible surface: 323.603  Positive charged surface: 114.86  Negative charged surface: 208.743  Volume: 139.625
  Hydrophobic surface: 162.308  Hydrophilic surface: 161.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.