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ASINEX-ZINC05003484

 MMsINC code: MMs00432984
Type: Tautomer
Formula: C6H16N10
SMILES:   N(CCNC(NC(N)=N)=N)C(NC(N)=N)=N
InChI:   InChI=1/C6H16N10/c7-3(8)15-5(11)13-1-2-14-6(12)16-4(9)10/h1-2H2,(H6,7,8,11,13,15)(H6,9,10,12,14,16)

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Potential Energy
Epot(MMFF94)=-71.4905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.264 g/mol  logS: -1.0902  SlogP: -2.99872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122401  Sterimol/B1: 2.41187  Sterimol/B2: 2.71092  Sterimol/B3: 2.87997
  Sterimol/B4: 3.74433  Sterimol/L: 17.1165 
 
 Surface and Volume Properties
  Accessible surface: 469.997  Positive charged surface: 356.875  Negative charged surface: 113.122  Volume: 207.75
  Hydrophobic surface: 59.3535  Hydrophilic surface: 410.6435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 10  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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Parent related molecule:


MMs00432983
ASINEX-ZINC05003484