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PUBCHEM-ZINC05818337

 MMsINC code: MMs03397496
Type: Neutral
Formula: C18H16N2O4
SMILES:   Oc1cc(O)cc(O)c1C(=O)Cc1[nH]nc(c1)-c1ccc(cc1)C
InChI:   InChI=1/C18H16N2O4/c1-10-2-4-11(5-3-10)14-6-12(19-20-14)7-15(22)18-16(23)8-13(21)9-17(18)24/h2-6,8-9,21,23-24H,7H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=95.4602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.336 g/mol  logS: -3.89137  SlogP: 2.92729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558673  Sterimol/B1: 2.54412  Sterimol/B2: 3.3577  Sterimol/B3: 4.44049
  Sterimol/B4: 5.35387  Sterimol/L: 19.1563 
 
 Surface and Volume Properties
  Accessible surface: 576.721  Positive charged surface: 348.93  Negative charged surface: 227.791  Volume: 297.75
  Hydrophobic surface: 362.221  Hydrophilic surface: 214.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.