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PUBCHEM-ZINC05850302

 MMsINC code: MMs03416368
Type: Neutral
Formula: C8H16N4-4
SMILES:   [N-]1CC[N-]CC[N-]CC[N-]CC1
InChI:   InChI=1/C8H16N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2/q-4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.244 g/mol  logS: 1.0953  SlogP: 1.4948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192296  Sterimol/B1: 2.42935  Sterimol/B2: 3.21615  Sterimol/B3: 4.1352
  Sterimol/B4: 5.68094  Sterimol/L: 9.82937 
 
 Surface and Volume Properties
  Accessible surface: 364.37  Positive charged surface: 232.078  Negative charged surface: 132.292  Volume: 180.25
  Hydrophobic surface: 309.394  Hydrophilic surface: 54.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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.