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PUBCHEM-ZINC05650422

 MMsINC code: MMs03336680
Type: Ionized
Formula: C16H42N4+4
SMILES:   [NH2+](CCCC[NH2+]CCCC[NH2+]CC)CCCC[NH2+]CC
InChI:   InChI=1/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3/p+4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.3972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.54 g/mol  logS: -0.42578  SlogP: -2.3796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00895132  Sterimol/B1: 2.34181  Sterimol/B2: 2.38559  Sterimol/B3: 2.38804
  Sterimol/B4: 3.04316  Sterimol/L: 28.4765 
 
 Surface and Volume Properties
  Accessible surface: 737.713  Positive charged surface: 669.896  Negative charged surface: 67.8167  Volume: 359.625
  Hydrophobic surface: 554.629  Hydrophilic surface: 183.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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:


MMs03336679
PUBCHEM-ZINC05650422