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ALFAAESAR-ZINC00157184

 MMsINC code: MMs00020297
Type: Neutral
Formula: C7H4F5N
SMILES:   Fc1c(F)c(N)ccc1C(F)(F)F
InChI:   InChI=1/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.3592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.106 g/mol  logS: -2.75227  SlogP: 2.8773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314194  Sterimol/B1: 2.42876  Sterimol/B2: 2.63683  Sterimol/B3: 2.63931
  Sterimol/B4: 5.06484  Sterimol/L: 9.58878 
 
 Surface and Volume Properties
  Accessible surface: 317.638  Positive charged surface: 115.736  Negative charged surface: 201.902  Volume: 135.375
  Hydrophobic surface: 156.907  Hydrophilic surface: 160.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.