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PUBCHEM-ZINC06499672

 MMsINC code: MMs03769109
Type: Neutral
Formula: C6H10N8
SMILES:   n1n(cc(c1)\C=N\N=C(N)N)C(N)=N
InChI:   InChI=1/C6H10N8/c7-5(8)13-11-1-4-2-12-14(3-4)6(9)10/h1-3H,(H3,9,10)(H4,7,8,13)/b11-1+

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Potential Energy
Epot(MMFF94)=14.3969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.202 g/mol  logS: -0.78355  SlogP: -1.76803  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.90126e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09823  Sterimol/B3: 2.26193
  Sterimol/B4: 4.60383  Sterimol/L: 14.7786 
 
 Surface and Volume Properties
  Accessible surface: 408.502  Positive charged surface: 295.404  Negative charged surface: 113.098  Volume: 175.375
  Hydrophobic surface: 76.2761  Hydrophilic surface: 332.2259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.