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NCID-ZINC01684466

 MMsINC code: MMs02317876
Type: Neutral
Formula: C18H14N4O6
SMILES:   OC(=O)c1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1C(O)=O
InChI:   InChI=1/C18H14N4O6/c23-15(21-19-9-11-5-1-3-7-13(11)17(25)26)16(24)22-20-10-12-6-2-4-8-14(12)18(27)28/h1-10H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b19-9+,20-10+

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Potential Energy
Epot(MMFF94)=134.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.332 g/mol  logS: -3.88876  SlogP: 0.6834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00100053  Sterimol/B1: 2.10019  Sterimol/B2: 2.37885  Sterimol/B3: 2.64663
  Sterimol/B4: 7.20036  Sterimol/L: 20.6853 
 
 Surface and Volume Properties
  Accessible surface: 658.992  Positive charged surface: 374.204  Negative charged surface: 284.787  Volume: 330
  Hydrophobic surface: 315.998  Hydrophilic surface: 342.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs02317877
NCID-ZINC01684466