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PUBCHEM-ZINC04702466

 MMsINC code: MMs03160492
Type: Neutral
Formula: C20H15FN4O2
SMILES:   Fc1cc(ccc1)C(=O)N\N=C\c1cc(N=Nc2ccccc2)ccc1O
InChI:   InChI=1/C20H15FN4O2/c21-16-6-4-5-14(11-16)20(27)25-22-13-15-12-18(9-10-19(15)26)24-23-17-7-2-1-3-8-17/h1-13,26H,(H,25,27)/b22-13+,24-23+

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Potential Energy
Epot(MMFF94)=112.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.364 g/mol  logS: -5.36398  SlogP: 4.7106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000510404  Sterimol/B1: 2.11106  Sterimol/B2: 2.18789  Sterimol/B3: 3.37038
  Sterimol/B4: 6.87368  Sterimol/L: 21.6609 
 
 Surface and Volume Properties
  Accessible surface: 647.927  Positive charged surface: 340.47  Negative charged surface: 307.457  Volume: 332.25
  Hydrophobic surface: 543.361  Hydrophilic surface: 104.566
 
 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.