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PUBCHEM-ZINC03776794

 MMsINC code: MMs03075719
Type: Ionized
Formula: C14H38N4+4
SMILES:   [NH2+](CCCC[NH2+]CCC[NH2+]CC)CCC[NH2+]CC
InChI:   InChI=1/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3/p+4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.486 g/mol  logS: -0.02224  SlogP: -3.1598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109736  Sterimol/B1: 2.23606  Sterimol/B2: 2.38541  Sterimol/B3: 2.38777
  Sterimol/B4: 3.3576  Sterimol/L: 25.9459 
 
 Surface and Volume Properties
  Accessible surface: 665.615  Positive charged surface: 604.773  Negative charged surface: 60.8421  Volume: 322
  Hydrophobic surface: 478.164  Hydrophilic surface: 187.451
 
 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:


MMs03075718
PUBCHEM-ZINC03776794