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ALFAAESAR-ZINC02382323

 MMsINC code: MMs00023004
Type: Neutral
Formula: C7H4F5N
SMILES:   Fc1cc(F)c(N)cc1C(F)(F)F
InChI:   InChI=1/C7H4F5N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7124 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: 0.0366006  Sterimol/B1: 2.63754  Sterimol/B2: 2.6386  Sterimol/B3: 2.67843
  Sterimol/B4: 5.31416  Sterimol/L: 9.27605 
 
 Surface and Volume Properties
  Accessible surface: 319.417  Positive charged surface: 114.454  Negative charged surface: 204.963  Volume: 134.625
  Hydrophobic surface: 158.364  Hydrophilic surface: 161.053
 
 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.