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ASINEX-ZINC02815943

 MMsINC code: MMs00278460
Type: Neutral
Formula: C16H12N2O4
SMILES:   o1c(ccc1C=C1C(=O)NC(=O)NC1=O)-c1ccc(cc1)C
InChI:   InChI=1/C16H12N2O4/c1-9-2-4-10(5-3-9)13-7-6-11(22-13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21)

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Potential Energy
Epot(MMFF94)=15.7504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.282 g/mol  logS: -5.43177  SlogP: 2.00442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268862  Sterimol/B1: 2.82291  Sterimol/B2: 2.97838  Sterimol/B3: 3.42045
  Sterimol/B4: 6.75021  Sterimol/L: 15.5871 
 
 Surface and Volume Properties
  Accessible surface: 508.173  Positive charged surface: 280.745  Negative charged surface: 227.428  Volume: 266.375
  Hydrophobic surface: 323.945  Hydrophilic surface: 184.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.