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NCID-ZINC05567351

 MMsINC code: MMs02476026
Type: Neutral
Formula: C15H12N2O3
SMILES:   OC(=O)\C(=N/NC(=O)c1ccccc1)\c1ccccc1
InChI:   InChI=1/C15H12N2O3/c18-14(12-9-5-2-6-10-12)17-16-13(15(19)20)11-7-3-1-4-8-11/h1-10H,(H,17,18)(H,19,20)/b16-13+

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Potential Energy
Epot(MMFF94)=109.573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.272 g/mol  logS: -3.83279  SlogP: 1.9053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321532  Sterimol/B1: 2.55742  Sterimol/B2: 2.81181  Sterimol/B3: 2.90172
  Sterimol/B4: 8.2626  Sterimol/L: 13.6556 
 
 Surface and Volume Properties
  Accessible surface: 487.176  Positive charged surface: 247.722  Negative charged surface: 239.454  Volume: 248.875
  Hydrophobic surface: 336.786  Hydrophilic surface: 150.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02476027
NCID-ZINC05567351