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PUBCHEM-ZINC05413464

 MMsINC code: MMs03261345
Type: Neutral
Formula: C6H13N5
SMILES:   N(C(=N)N1CCCC1)=C(N)N
InChI:   InChI=1/C6H13N5/c7-5(8)10-6(9)11-3-1-2-4-11/h1-4H2,(H5,7,8,9,10)

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Potential Energy
Epot(MMFF94)=-48.5224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.205 g/mol  logS: -0.78676  SlogP: -0.70963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101913  Sterimol/B1: 2.24107  Sterimol/B2: 2.7857  Sterimol/B3: 3.03235
  Sterimol/B4: 4.88786  Sterimol/L: 11.2058 
 
 Surface and Volume Properties
  Accessible surface: 359.632  Positive charged surface: 291.683  Negative charged surface: 67.9493  Volume: 154.375
  Hydrophobic surface: 167.726  Hydrophilic surface: 191.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Ions/Tautomers related molecules


MMs03261346
PUBCHEM-ZINC05413464