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ASINEX-ZINC00283325

 MMsINC code: MMs00107992
Type: Neutral
Formula: C20H16N2O3
SMILES:   Oc1c(cccc1O)\C=N\NC(=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C20H16N2O3/c23-18-8-4-7-17(19(18)24)13-21-22-20(25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,23-24H,(H,22,25)/b21-13+

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Potential Energy
Epot(MMFF94)=128.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.359 g/mol  logS: -5.24063  SlogP: 3.5287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00128179  Sterimol/B1: 2.13849  Sterimol/B2: 2.2195  Sterimol/B3: 3.76336
  Sterimol/B4: 4.72119  Sterimol/L: 20.7441 
 
 Surface and Volume Properties
  Accessible surface: 603.496  Positive charged surface: 322.085  Negative charged surface: 270.34  Volume: 317.625
  Hydrophobic surface: 452.861  Hydrophilic surface: 150.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.