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NCID-ZINC01666979

 MMsINC code: MMs02303102
Type: Neutral
Formula: C16H8N2O4
SMILES:   O=C1N2N(C(=O)c3c1cccc3)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C16H8N2O4/c19-13-9-5-1-2-6-10(9)14(20)18-16(22)12-8-4-3-7-11(12)15(21)17(13)18/h1-8H

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Potential Energy
Epot(MMFF94)=102.555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.25 g/mol  logS: -4.39084  SlogP: 1.4938  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.37389e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09915  Sterimol/B3: 3.67241
  Sterimol/B4: 5.06014  Sterimol/L: 14.5426 
 
 Surface and Volume Properties
  Accessible surface: 455.83  Positive charged surface: 225.444  Negative charged surface: 230.386  Volume: 243.875
  Hydrophobic surface: 322.071  Hydrophilic surface: 133.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.