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MMsINC code: MMs03262858

Type: Ionized
Formula: C₁₄H₂₈N+

SMILES:

[NH2+](CCCCCC)C\C=C\CCCC=C

InChI:

InChI=1/C14H27N/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h3,10,12,15H,1,4-9,11,13-14H2,2H3/p+1/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.05468 kcal/mol

Physical Properties
Molecular Weight: 210.385 g/mol	logS: -3.94264	SlogP: 3.0426	Reactive groups: 0

Topological Properties
Globularity: 0.0250127	Sterimol/B1: 2.87493	Sterimol/B2: 3.08307	Sterimol/B3: 3.09441
Sterimol/B4: 6.26501	Sterimol/L: 19.7332

Surface and Volume Properties
Accessible surface: 574.134	Positive charged surface: 451.185	Negative charged surface: 122.949	Volume: 269.375
Hydrophobic surface: 446.55	Hydrophilic surface: 127.584

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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

search links for this molecule:

Parent related molecule:

MMs03262857
PUBCHEM-ZINC05418088