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MMsINC code: MMs03375567

Type: Ionized
Formula: C₁₆H₂₆N+

SMILES:

[NH+]1(Cc2ccccc2)C(CCCC1(C)C)(C)C

InChI:

InChI=1/C16H25N/c1-15(2)11-8-12-16(3,4)17(15)13-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3698 kcal/mol

Physical Properties
Molecular Weight: 232.391 g/mol	logS: -3.29493	SlogP: 3.079	Reactive groups: 0

Topological Properties
Globularity: 0.236167	Sterimol/B1: 2.28583	Sterimol/B2: 3.69401	Sterimol/B3: 5.3727
Sterimol/B4: 5.72248	Sterimol/L: 12.5233

Surface and Volume Properties
Accessible surface: 458.749	Positive charged surface: 314.89	Negative charged surface: 143.859	Volume: 273.25
Hydrophobic surface: 402.327	Hydrophilic surface: 56.422

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

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Parent related molecule:

MMs03375566
PUBCHEM-ZINC05762215