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PUBCHEM-ZINC05424568

 MMsINC code: MMs03266052
Type: Neutral
Formula: C6H11N7O
SMILES:   O=C(NN)c1[nH]cnc1N=NN(C)C
InChI:   InChI=1/C6H11N7O/c1-13(2)12-11-5-4(6(14)10-7)8-3-9-5/h3H,7H2,1-2H3,(H,8,9)(H,10,14)/b12-11+

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Potential Energy
Epot(MMFF94)=51.0943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.202 g/mol  logS: -0.52714  SlogP: -0.4265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01459  Sterimol/B1: 2.38937  Sterimol/B2: 2.523  Sterimol/B3: 2.59683
  Sterimol/B4: 7.03945  Sterimol/L: 12.9255 
 
 Surface and Volume Properties
  Accessible surface: 412.048  Positive charged surface: 332.451  Negative charged surface: 79.5965  Volume: 177.375
  Hydrophobic surface: 232.334  Hydrophilic surface: 179.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.