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CHEMSTAR-ZINC04499601

 MMsINC code: MMs01112319
Type: Neutral
Formula: C14H7F6N3
SMILES:   FC(F)(F)C=1C=Cn2c(nnc2-c2ccc(cc2)C(F)(F)F)C=1
InChI:   InChI=1/C14H7F6N3/c15-13(16,17)9-3-1-8(2-4-9)12-22-21-11-7-10(14(18,19)20)5-6-23(11)12/h1-7H

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Potential Energy
Epot(MMFF94)=89.5792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.219 g/mol  logS: -5.44479  SlogP: 5.1253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173924  Sterimol/B1: 2.097  Sterimol/B2: 3.11268  Sterimol/B3: 3.32244
  Sterimol/B4: 5.09405  Sterimol/L: 15.2878 
 
 Surface and Volume Properties
  Accessible surface: 476.133  Positive charged surface: 124.928  Negative charged surface: 351.204  Volume: 243.375
  Hydrophobic surface: 226.171  Hydrophilic surface: 249.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.