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APOLLO-ZINC02382402

 MMsINC code: MMs00051826
Type: Neutral
Formula: C9H7F6N
SMILES:   FC(F)(F)c1cc(N)cc(C(F)(F)F)c1C
InChI:   InChI=1/C9H7F6N/c1-4-6(8(10,11)12)2-5(16)3-7(4)9(13,14)15/h2-3H,16H2,1H3

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Potential Energy
Epot(MMFF94)=61.927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.15 g/mol  logS: -3.69278  SlogP: 4.23782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718996  Sterimol/B1: 2.63294  Sterimol/B2: 2.64616  Sterimol/B3: 5.06123
  Sterimol/B4: 5.06439  Sterimol/L: 9.58461 
 
 Surface and Volume Properties
  Accessible surface: 363.152  Positive charged surface: 119.585  Negative charged surface: 243.567  Volume: 170.25
  Hydrophobic surface: 118.23  Hydrophilic surface: 244.922
 
 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.