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PUBCHEM-ZINC05783263

 MMsINC code: MMs03384239
Type: Neutral
Formula: C7H14N10
SMILES:   n1c(\N=C(/NN)\N)c(cnc1\N=C(/NN)\N)C
InChI:   InChI=1/C7H14N10/c1-3-2-12-7(15-6(9)17-11)14-4(3)13-5(8)16-10/h2H,10-11H2,1H3,(H6,8,9,12,13,14,15,16,17)

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Potential Energy
Epot(MMFF94)=12.8064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.259 g/mol  logS: -2.02119  SlogP: -2.39598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290578  Sterimol/B1: 2.26777  Sterimol/B2: 2.49809  Sterimol/B3: 2.61597
  Sterimol/B4: 8.15215  Sterimol/L: 13.2607 
 
 Surface and Volume Properties
  Accessible surface: 463.553  Positive charged surface: 360.819  Negative charged surface: 102.734  Volume: 210.875
  Hydrophobic surface: 121.449  Hydrophilic surface: 342.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.