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PUBCHEM-ZINC00585073

 MMsINC code: MMs02710753
Type: Neutral
Formula: C19H16N2O3
SMILES:   o1cccc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16N2O3/c22-18(16-12-7-13-24-16)20-21-19(23)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=104.147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.348 g/mol  logS: -5.0389  SlogP: 2.8727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106159  Sterimol/B1: 2.44797  Sterimol/B2: 3.32398  Sterimol/B3: 4.82626
  Sterimol/B4: 8.66752  Sterimol/L: 16.2213 
 
 Surface and Volume Properties
  Accessible surface: 583.058  Positive charged surface: 303.32  Negative charged surface: 279.738  Volume: 306.5
  Hydrophobic surface: 485.185  Hydrophilic surface: 97.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.