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PUBCHEM-ZINC05113145

 MMsINC code: MMs03201493
Type: Ionized
Formula: C18H46N4+4
SMILES:   [NH2+](CCCCCC[NH2+]CCCCCC[NH3+])CCCCCC[NH3+]
InChI:   InChI=1/C18H42N4/c19-13-7-1-3-9-15-21-17-11-5-6-12-18-22-16-10-4-2-8-14-20/h21-22H,1-20H2/p+4

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Potential Energy
Epot(MMFF94)=15.9826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.594 g/mol  logS: -0.83082  SlogP: -0.7218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00739424  Sterimol/B1: 2.27617  Sterimol/B2: 2.38314  Sterimol/B3: 2.3848
  Sterimol/B4: 3.23356  Sterimol/L: 30.5548 
 
 Surface and Volume Properties
  Accessible surface: 782.294  Positive charged surface: 741.097  Negative charged surface: 41.1963  Volume: 387.875
  Hydrophobic surface: 547.576  Hydrophilic surface: 234.718
 
 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:


MMs03201492
PUBCHEM-ZINC05113145