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ASINEX-ZINC01994504

 MMsINC code: MMs00260435
Type: Neutral
Formula: C16H12N4O4
SMILES:   Oc1ccc(NC(=O)C(=O)N\N=C\2/c3c(NC/2=O)cccc3)cc1
InChI:   InChI=1/C16H12N4O4/c21-10-7-5-9(6-8-10)17-15(23)16(24)20-19-13-11-3-1-2-4-12(11)18-14(13)22/h1-8,21H,(H,17,23)(H,20,24)(H,18,19,22)

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Potential Energy
Epot(MMFF94)=117.892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.296 g/mol  logS: -4.05446  SlogP: 0.8033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00643139  Sterimol/B1: 2.42956  Sterimol/B2: 2.46743  Sterimol/B3: 2.88462
  Sterimol/B4: 5.75065  Sterimol/L: 19.588 
 
 Surface and Volume Properties
  Accessible surface: 571.802  Positive charged surface: 315.457  Negative charged surface: 256.345  Volume: 280.25
  Hydrophobic surface: 332.49  Hydrophilic surface: 239.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.