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ASINEX-ZINC00112437

 MMsINC code: MMs00076816
Type: Neutral
Formula: C19H16N2O2
SMILES:   o1cccc1/C(=N\NC(=O)c1ccc(cc1)-c1ccccc1)/C
InChI:   InChI=1/C19H16N2O2/c1-14(18-8-5-13-23-18)20-21-19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,21,22)/b20-14+

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Potential Energy
Epot(MMFF94)=110.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.349 g/mol  logS: -6.02226  SlogP: 4.1006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00162078  Sterimol/B1: 2.10154  Sterimol/B2: 2.2168  Sterimol/B3: 2.51194
  Sterimol/B4: 6.34555  Sterimol/L: 20.0714 
 
 Surface and Volume Properties
  Accessible surface: 572.791  Positive charged surface: 271.74  Negative charged surface: 290.43  Volume: 303.25
  Hydrophobic surface: 507.101  Hydrophilic surface: 65.69
 
 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.