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IBS-ZINC06664264

 MMsINC code: MMs01963554
Type: Neutral
Formula: C19H14FN3O
SMILES:   Fc1ccc(cc1)-c1c2n(nc1C)C(=O)C=C(N2)c1ccccc1
InChI:   InChI=1/C19H14FN3O/c1-12-18(14-7-9-15(20)10-8-14)19-21-16(11-17(24)23(19)22-12)13-5-3-2-4-6-13/h2-11,21H,1H3

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Potential Energy
Epot(MMFF94)=108.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.339 g/mol  logS: -5.73282  SlogP: 4.10442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465553  Sterimol/B1: 3.29311  Sterimol/B2: 3.53229  Sterimol/B3: 3.73728
  Sterimol/B4: 7.99308  Sterimol/L: 13.923 
 
 Surface and Volume Properties
  Accessible surface: 544.547  Positive charged surface: 266.156  Negative charged surface: 278.392  Volume: 295.5
  Hydrophobic surface: 473.569  Hydrophilic surface: 70.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.