MMsINC Database Search


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MMsINC code: MMs02840618

Type: Neutral
Formula: C₁₄H₂₄N+

SMILES:

[N+](CCc1ccccc1)(CC)(CC)CC

InChI:

InChI=1/C14H24N/c1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7382 kcal/mol

Physical Properties
Molecular Weight: 206.353 g/mol	logS: -2.16905	SlogP: 3.10557	Reactive groups: 0

Topological Properties
Globularity: 0.102805	Sterimol/B1: 2.37469	Sterimol/B2: 3.19467	Sterimol/B3: 3.2218
Sterimol/B4: 7.27289	Sterimol/L: 13.3969

Surface and Volume Properties
Accessible surface: 440.344	Positive charged surface: 291.218	Negative charged surface: 149.126	Volume: 241.75
Hydrophobic surface: 362.159	Hydrophilic surface: 78.185

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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Ions/Tautomers related molecules: no related molecules available.