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IBS-ZINC05071970

 MMsINC code: MMs01921297
Type: Neutral
Formula: C19H12FN5O
SMILES:   Fc1ccc(cc1)CN1C=2N=C3N(C=CC=C3)C(=O)C=2C=C(C#N)C1=N
InChI:   InChI=1/C19H12FN5O/c20-14-6-4-12(5-7-14)11-25-17(22)13(10-21)9-15-18(25)23-16-3-1-2-8-24(16)19(15)26/h1-9,22H,11H2/b22-17-

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Potential Energy
Epot(MMFF94)=74.5551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.337 g/mol  logS: -5.22403  SlogP: 2.87075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174595  Sterimol/B1: 3.43097  Sterimol/B2: 3.68426  Sterimol/B3: 4.52671
  Sterimol/B4: 8.14205  Sterimol/L: 14.2343 
 
 Surface and Volume Properties
  Accessible surface: 554.482  Positive charged surface: 275.245  Negative charged surface: 279.237  Volume: 310.5
  Hydrophobic surface: 377.431  Hydrophilic surface: 177.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.