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PUBCHEM-ZINC02794430

 MMsINC code: MMs02928253
Type: Neutral
Formula: C20H15FN4O2
SMILES:   Fc1cc(ccc1)Cn1nc(NC(=O)c2noc(c2)-c2ccccc2)cc1
InChI:   InChI=1/C20H15FN4O2/c21-16-8-4-5-14(11-16)13-25-10-9-19(23-25)22-20(26)17-12-18(27-24-17)15-6-2-1-3-7-15/h1-12H,13H2,(H,22,23,26)

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Potential Energy
Epot(MMFF94)=80.9072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.364 g/mol  logS: -5.25351  SlogP: 4.2442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306448  Sterimol/B1: 3.9485  Sterimol/B2: 4.04607  Sterimol/B3: 4.37375
  Sterimol/B4: 5.27698  Sterimol/L: 19.7122 
 
 Surface and Volume Properties
  Accessible surface: 637.125  Positive charged surface: 330.384  Negative charged surface: 306.741  Volume: 330.875
  Hydrophobic surface: 503.9  Hydrophilic surface: 133.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.