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PUBCHEM-ZINC06864165

 MMsINC code: MMs03882355
Type: Neutral
Formula: C22H16N2O4
SMILES:   Oc1ccccc1NC(=O)c1cc2c(cc1)C(=O)N(Cc1ccccc1)C2=O
InChI:   InChI=1/C22H16N2O4/c25-19-9-5-4-8-18(19)23-20(26)15-10-11-16-17(12-15)22(28)24(21(16)27)13-14-6-2-1-3-7-14/h1-12,25H,13H2,(H,23,26)

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Potential Energy
Epot(MMFF94)=85.8995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.38 g/mol  logS: -5.31067  SlogP: 3.7071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414306  Sterimol/B1: 2.29766  Sterimol/B2: 3.30812  Sterimol/B3: 5.50316
  Sterimol/B4: 5.83618  Sterimol/L: 19.0088 
 
 Surface and Volume Properties
  Accessible surface: 620.03  Positive charged surface: 337.532  Negative charged surface: 282.498  Volume: 343.125
  Hydrophobic surface: 465.16  Hydrophilic surface: 154.87
 
 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.