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MMsINC code: MMs03262857

Type: Neutral
Formula: C₁₄H₂₇N

SMILES:

N(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/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.3539 kcal/mol

Physical Properties
Molecular Weight: 209.377 g/mol	logS: -3.96703	SlogP: 4.0688	Reactive groups: 0

Topological Properties
Globularity: 0.0255991	Sterimol/B1: 2.85507	Sterimol/B2: 2.87328	Sterimol/B3: 3.16305
Sterimol/B4: 5.77589	Sterimol/L: 20.0178

Surface and Volume Properties
Accessible surface: 561.286	Positive charged surface: 431.002	Negative charged surface: 130.284	Volume: 264.375
Hydrophobic surface: 441.37	Hydrophilic surface: 119.916

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

MMs03262858
PUBCHEM-ZINC05418088