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ASINEX-ZINC01670236

 MMsINC code: MMs00255651
Type: Tautomer
Formula: C6H16N4
SMILES:   N(CCCNC(N)=N)(C)C
InChI:   InChI=1/C6H16N4/c1-10(2)5-3-4-9-6(7)8/h3-5H2,1-2H3,(H4,7,8,9)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-28.9231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.222 g/mol  logS: -0.01074  SlogP: -0.57883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543793  Sterimol/B1: 2.83774  Sterimol/B2: 3.07137  Sterimol/B3: 3.22582
  Sterimol/B4: 3.28311  Sterimol/L: 12.5859 
 
 Surface and Volume Properties
  Accessible surface: 368.803  Positive charged surface: 322.469  Negative charged surface: 46.3338  Volume: 159
  Hydrophobic surface: 221.97  Hydrophilic surface: 146.833
 
 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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Parent related molecule:


MMs00255650
ASINEX-ZINC01670236