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ALFAAESAR-ZINC00061491

 MMsINC code: MMs00019409
Type: Neutral
Formula: C15H9NO4
SMILES:   O=C1N(c2ccccc2C(O)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C15H9NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-8H,(H,19,20)

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Potential Energy
Epot(MMFF94)=77.1023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.24 g/mol  logS: -3.72799  SlogP: 2.1854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118713  Sterimol/B1: 3.30645  Sterimol/B2: 4.23202  Sterimol/B3: 4.68887
  Sterimol/B4: 5.32749  Sterimol/L: 13.7108 
 
 Surface and Volume Properties
  Accessible surface: 456.212  Positive charged surface: 225.121  Negative charged surface: 231.09  Volume: 235.125
  Hydrophobic surface: 315.883  Hydrophilic surface: 140.329
 
 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


MMs00019410
ALFAAESAR-ZINC00061491