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NCID-ZINC01613425

 MMsINC code: MMs02263557
Type: Neutral
Formula: C6H16N6
SMILES:   N(N=NC)CCCCNN=NC
InChI:   InChI=1/C6H16N6/c1-7-11-9-5-3-4-6-10-12-8-2/h3-6H2,1-2H3,(H,7,9)(H,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.5054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.236 g/mol  logS: 0.5325  SlogP: 0.9398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175927  Sterimol/B1: 2.37528  Sterimol/B2: 2.37558  Sterimol/B3: 2.62129
  Sterimol/B4: 2.74731  Sterimol/L: 17.8577 
 
 Surface and Volume Properties
  Accessible surface: 453.306  Positive charged surface: 369.288  Negative charged surface: 84.0182  Volume: 181.125
  Hydrophobic surface: 370.932  Hydrophilic surface: 82.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.