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IBS-ZINC02236368

 MMsINC code: MMs01811836
Type: Tautomer
Formula: C6H14N4
SMILES:   NC(=N)N1CCN(CC1)C
InChI:   InChI=1/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8)

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Potential Energy
Epot(MMFF94)=8.90857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.206 g/mol  logS: 0.14818  SlogP: -0.87273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106461  Sterimol/B1: 2.57445  Sterimol/B2: 3.33684  Sterimol/B3: 3.44964
  Sterimol/B4: 3.8952  Sterimol/L: 10.5213 
 
 Surface and Volume Properties
  Accessible surface: 331.132  Positive charged surface: 288.143  Negative charged surface: 42.9889  Volume: 148.125
  Hydrophobic surface: 201.476  Hydrophilic surface: 129.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs01811835
IBS-ZINC02236368