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ASINEX-ZINC00303246

 MMsINC code: MMs00114382
Type: Neutral
Formula: C17H15FN4O
SMILES:   Fc1ccc(NC(=O)Nc2cc3nc(C)c(nc3cc2)C)cc1
InChI:   InChI=1/C17H15FN4O/c1-10-11(2)20-16-9-14(7-8-15(16)19-10)22-17(23)21-13-5-3-12(18)4-6-13/h3-9H,1-2H3,(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=90.3301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.332 g/mol  logS: -3.47301  SlogP: 4.02974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261283  Sterimol/B1: 2.55199  Sterimol/B2: 2.92102  Sterimol/B3: 3.47589
  Sterimol/B4: 5.28611  Sterimol/L: 17.9164 
 
 Surface and Volume Properties
  Accessible surface: 558.899  Positive charged surface: 328.483  Negative charged surface: 230.416  Volume: 286.625
  Hydrophobic surface: 461.757  Hydrophilic surface: 97.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.