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ALFAAESAR-ZINC02560171

 MMsINC code: MMs00023686
Type: Neutral
Formula: C8H4F4O
SMILES:   Fc1cc(C=O)c(cc1)C(F)(F)F
InChI:   InChI=1/C8H4F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.1446 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: 0.0438491  Sterimol/B1: 2.63745  Sterimol/B2: 2.63968  Sterimol/B3: 2.95396
  Sterimol/B4: 5.80699  Sterimol/L: 9.01216 
 
 Surface and Volume Properties
  Accessible surface: 314.823  Positive charged surface: 103.518  Negative charged surface: 211.305  Volume: 140.75
  Hydrophobic surface: 166.421  Hydrophilic surface: 148.402
 
 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.