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PUBCHEM-ZINC04977310

 MMsINC code: MMs03187142
Type: Neutral
Formula: C16H40N6
SMILES:   N(CCCCN(CCCN)CCCN)(CCCN)CCCN
InChI:   InChI=1/C16H40N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-20H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.1816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.538 g/mol  logS: 0.63762  SlogP: -0.2342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196208  Sterimol/B1: 4.70974  Sterimol/B2: 4.91054  Sterimol/B3: 5.43227
  Sterimol/B4: 5.79717  Sterimol/L: 15.7119 
 
 Surface and Volume Properties
  Accessible surface: 715.789  Positive charged surface: 639.634  Negative charged surface: 76.1549  Volume: 364.125
  Hydrophobic surface: 443.619  Hydrophilic surface: 272.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03187143
PUBCHEM-ZINC04977310