MMsINC Database Search


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MMsINC code: MMs02359742

Type: Neutral
Formula: C₁₆H₂₈NO+

SMILES:

OCCCCCCCCCC[n+]1ccc(cc1)C

InChI:

InChI=1/C16H28NO/c1-16-10-13-17(14-11-16)12-8-6-4-2-3-5-7-9-15-18/h10-11,13-14,18H,2-9,12,15H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.8918 kcal/mol

Physical Properties
Molecular Weight: 250.406 g/mol	logS: -3.1357	SlogP: 3.66202	Reactive groups: 0

Topological Properties
Globularity: 0.0304237	Sterimol/B1: 2.113	Sterimol/B2: 3.6199	Sterimol/B3: 3.62442
Sterimol/B4: 4.81446	Sterimol/L: 21.6994

Surface and Volume Properties
Accessible surface: 589.965	Positive charged surface: 476.355	Negative charged surface: 113.61	Volume: 291.25
Hydrophobic surface: 500.895	Hydrophilic surface: 89.07

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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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Ions/Tautomers related molecules: no related molecules available.