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PUBCHEM-ZINC04680185

 MMsINC code: MMs03154697
Type: Neutral
Formula: C22H16N2O4
SMILES:   Oc1ccccc1NC(=O)c1cc2c(cc1)C(=O)N(c1ccccc1C)C2=O
InChI:   InChI=1/C22H16N2O4/c1-13-6-2-4-8-18(13)24-21(27)15-11-10-14(12-16(15)22(24)28)20(26)23-17-7-3-5-9-19(17)25/h2-12,25H,1H3,(H,23,26)

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Potential Energy
Epot(MMFF94)=125.17 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.38 g/mol  logS: -5.5271  SlogP: 3.75352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455359  Sterimol/B1: 2.26468  Sterimol/B2: 2.97245  Sterimol/B3: 5.32998
  Sterimol/B4: 5.44995  Sterimol/L: 20.1237 
 
 Surface and Volume Properties
  Accessible surface: 621.974  Positive charged surface: 323.346  Negative charged surface: 298.628  Volume: 342.25
  Hydrophobic surface: 477.189  Hydrophilic surface: 144.785
 
 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.