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PUBCHEM-ZINC05783269

 MMsINC code: MMs03384242
Type: Neutral
Formula: C7H14N10
SMILES:   n1c(NN=C(N)N)c(cnc1NN=C(N)N)C
InChI:   InChI=1/C7H14N10/c1-3-2-12-7(17-16-6(10)11)13-4(3)14-15-5(8)9/h2H,1H3,(H4,8,9,15)(H4,10,11,16)(H2,12,13,14,17)

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Potential Energy
Epot(MMFF94)=-16.4172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.259 g/mol  logS: -1.45591  SlogP: -2.01438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00388065  Sterimol/B1: 2.10082  Sterimol/B2: 2.41294  Sterimol/B3: 2.51188
  Sterimol/B4: 8.11828  Sterimol/L: 14.9905 
 
 Surface and Volume Properties
  Accessible surface: 479.646  Positive charged surface: 363.718  Negative charged surface: 115.928  Volume: 213.625
  Hydrophobic surface: 118.175  Hydrophilic surface: 361.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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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Ions/Tautomers related molecules: no related molecules available.