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ASINEX-ZINC01155286

 MMsINC code: MMs00229587
Type: Neutral
Formula: C20H18N2O4
SMILES:   O=C1c2ccc(nc2N(C=C1C(OCC(=O)c1ccccc1)=O)CC)C
InChI:   InChI=1/C20H18N2O4/c1-3-22-11-16(18(24)15-10-9-13(2)21-19(15)22)20(25)26-12-17(23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=79.661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.374 g/mol  logS: -4.24934  SlogP: 2.72262  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0114318  Sterimol/B1: 2.08181  Sterimol/B2: 2.28443  Sterimol/B3: 3.46558
  Sterimol/B4: 7.95661  Sterimol/L: 19.4026 
 
 Surface and Volume Properties
  Accessible surface: 615.406  Positive charged surface: 374.617  Negative charged surface: 240.789  Volume: 332.75
  Hydrophobic surface: 476.489  Hydrophilic surface: 138.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.