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PUBCHEM-ZINC01855150

 MMsINC code: MMs02827907
Type: Neutral
Formula: C4H10N8
SMILES:   n1c(NN)cc(nc1NN)NN
InChI:   InChI=1/C4H10N8/c5-10-2-1-3(11-6)9-4(8-2)12-7/h1H,5-7H2,(H3,8,9,10,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.4063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.18 g/mol  logS: -0.61443  SlogP: -1.6666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119419  Sterimol/B1: 2.097  Sterimol/B2: 2.16191  Sterimol/B3: 2.81883
  Sterimol/B4: 6.607  Sterimol/L: 11.1708 
 
 Surface and Volume Properties
  Accessible surface: 359.841  Positive charged surface: 272.171  Negative charged surface: 87.6698  Volume: 148.5
  Hydrophobic surface: 30.3543  Hydrophilic surface: 329.4867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.