MMsINC Database Search


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MMsINC code: MMs02859481

Type: Neutral
Formula: C₁₄H₂₄N+

SMILES:

[N+](CCCCCc1ccccc1)(C)(C)C

InChI:

InChI=1/C14H24N/c1-15(2,3)13-9-5-8-12-14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1532 kcal/mol

Physical Properties
Molecular Weight: 206.353 g/mol	logS: -2.41963	SlogP: 3.10557	Reactive groups: 0

Topological Properties
Globularity: 0.0737832	Sterimol/B1: 2.19644	Sterimol/B2: 2.422	Sterimol/B3: 4.39875
Sterimol/B4: 4.81644	Sterimol/L: 15.802

Surface and Volume Properties
Accessible surface: 487.719	Positive charged surface: 384.76	Negative charged surface: 102.959	Volume: 246.75
Hydrophobic surface: 430.861	Hydrophilic surface: 56.858

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.