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APOLLO-ZINC04334579

 MMsINC code: MMs00059107
Type: Neutral
Formula: C11H4F6N4
SMILES:   FC(F)(F)c1cc(cc(N=NC(C#N)C#N)c1)C(F)(F)F
InChI:   InChI=1/C11H4F6N4/c12-10(13,14)6-1-7(11(15,16)17)3-8(2-6)20-21-9(4-18)5-19/h1-3,9H/b21-20+

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Potential Energy
Epot(MMFF94)=64.6229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.169 g/mol  logS: -4.32166  SlogP: 4.84667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527467  Sterimol/B1: 2.72769  Sterimol/B2: 3.70776  Sterimol/B3: 4.56765
  Sterimol/B4: 4.97214  Sterimol/L: 13.2038 
 
 Surface and Volume Properties
  Accessible surface: 477.277  Positive charged surface: 122.779  Negative charged surface: 354.498  Volume: 219.125
  Hydrophobic surface: 110.881  Hydrophilic surface: 366.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.