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PUBCHEM-ZINC01855164

 MMsINC code: MMs02827910
Type: Neutral
Formula: C5H10N6
SMILES:   n1c(NN)c(cnc1NN)C
InChI:   InChI=1/C5H10N6/c1-3-2-8-5(11-7)9-4(3)10-6/h2H,6-7H2,1H3,(H2,8,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.7341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.177 g/mol  logS: -0.76283  SlogP: -0.64378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212153  Sterimol/B1: 2.06187  Sterimol/B2: 2.50109  Sterimol/B3: 2.75914
  Sterimol/B4: 6.20159  Sterimol/L: 10.5279 
 
 Surface and Volume Properties
  Accessible surface: 347.052  Positive charged surface: 265.5  Negative charged surface: 81.5523  Volume: 139.25
  Hydrophobic surface: 120.253  Hydrophilic surface: 226.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.