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ASINEX-ZINC04007919

 MMsINC code: MMs00295779
Type: Neutral
Formula: C18H16N2O4
SMILES:   O1CCN(CC1)c1cc(O)c2c(c1N)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C18H16N2O4/c19-16-12(20-5-7-24-8-6-20)9-13(21)14-15(16)18(23)11-4-2-1-3-10(11)17(14)22/h1-4,9,21H,5-8,19H2

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Potential Energy
Epot(MMFF94)=166.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.336 g/mol  logS: -3.46282  SlogP: 1.5864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522385  Sterimol/B1: 3.57667  Sterimol/B2: 3.579  Sterimol/B3: 4.37468
  Sterimol/B4: 4.94835  Sterimol/L: 15.8976 
 
 Surface and Volume Properties
  Accessible surface: 528.718  Positive charged surface: 373.144  Negative charged surface: 155.574  Volume: 290.875
  Hydrophobic surface: 363.848  Hydrophilic surface: 164.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.