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ASINEX-ZINC01339518

 MMsINC code: MMs00239293
Type: Neutral
Formula: C16H13FN6O2
SMILES:   Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nn(nn1)CC(=O)N
InChI:   InChI=1/C16H13FN6O2/c17-12-5-1-11(2-6-12)16(25)19-13-7-3-10(4-8-13)15-20-22-23(21-15)9-14(18)24/h1-8H,9H2,(H2,18,24)(H,19,25)

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Potential Energy
Epot(MMFF94)=80.9277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.318 g/mol  logS: -4.45866  SlogP: 1.4832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132637  Sterimol/B1: 2.44215  Sterimol/B2: 2.83823  Sterimol/B3: 3.44929
  Sterimol/B4: 5.30679  Sterimol/L: 20.5588 
 
 Surface and Volume Properties
  Accessible surface: 584.774  Positive charged surface: 306.434  Negative charged surface: 278.34  Volume: 292
  Hydrophobic surface: 378.631  Hydrophilic surface: 206.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.