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NCID-ZINC01561893

 MMsINC code: MMs02223991
Type: Neutral
Formula: C4H14N6+2
SMILES:   [NH2+]=C(NCCNC(=[NH2+])N)N
InChI:   InChI=1/C4H12N6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H4,5,6,9)(H4,7,8,10)/p+2

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Potential Energy
Epot(MMFF94)=-114.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.198 g/mol  logS: -0.18284  SlogP: -5.6868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140858  Sterimol/B1: 2.37197  Sterimol/B2: 2.38569  Sterimol/B3: 3.24289
  Sterimol/B4: 3.32993  Sterimol/L: 12.7787 
 
 Surface and Volume Properties
  Accessible surface: 363.987  Positive charged surface: 318.07  Negative charged surface: 45.9178  Volume: 149
  Hydrophobic surface: 64.2848  Hydrophilic surface: 299.7022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 6
  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


MMs02223992
NCID-ZINC01561893