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PUBCHEM-ZINC06072515

 MMsINC code: MMs03525360
Type: Neutral
Formula: C4H4N6O4
SMILES:   O=C1NC2N(N=O)C(=O)NC2N1N=O
InChI:   InChI=1/C4H4N6O4/c11-3-5-1-2(10(3)8-14)6-4(12)9(1)7-13/h1-2H,(H,5,11)(H,6,12)/t1-,2-/m0/s1

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Potential Energy
Epot(MMFF94)=30.8297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.114 g/mol  logS: -0.54396  SlogP: -0.9482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187523  Sterimol/B1: 2.49132  Sterimol/B2: 3.17997  Sterimol/B3: 3.55739
  Sterimol/B4: 4.47017  Sterimol/L: 10.6562 
 
 Surface and Volume Properties
  Accessible surface: 322.801  Positive charged surface: 133.128  Negative charged surface: 189.673  Volume: 135.125
  Hydrophobic surface: 167.315  Hydrophilic surface: 155.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.