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MDPI-ZINC04235291

 MMsINC code: MMs02184254
Type: Neutral
Formula: C10H14N8O2
SMILES:   O=C(N\N=C\c1cc(\C=N\NC(=O)N)c(N)cc1N)N
InChI:   InChI=1/C10H14N8O2/c11-7-2-8(12)6(4-16-18-10(14)20)1-5(7)3-15-17-9(13)19/h1-4H,11-12H2,(H3,13,17,19)(H3,14,18,20)/b15-3+,16-4+

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Potential Energy
Epot(MMFF94)=59.3558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.276 g/mol  logS: -1.4918  SlogP: -1.1446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000580179  Sterimol/B1: 2.13886  Sterimol/B2: 2.13988  Sterimol/B3: 2.59672
  Sterimol/B4: 5.36012  Sterimol/L: 17.5704 
 
 Surface and Volume Properties
  Accessible surface: 495.627  Positive charged surface: 334.872  Negative charged surface: 160.754  Volume: 242.375
  Hydrophobic surface: 114.536  Hydrophilic surface: 381.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.