MMsINC Database Search


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MMsINC code: MMs02273417

Type: Neutral
Formula: C₁₅H₂₄N+

SMILES:

[N+](C)(C)(C)C1(CCCCC1)c1ccccc1

InChI:

InChI=1/C15H24N/c1-16(2,3)15(12-8-5-9-13-15)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)=108.072 kcal/mol

Physical Properties
Molecular Weight: 218.364 g/mol	logS: -2.59709	SlogP: 3.8637	Reactive groups: 0

Topological Properties
Globularity: 0.496171	Sterimol/B1: 3.39263	Sterimol/B2: 3.59585	Sterimol/B3: 3.66252
Sterimol/B4: 6.51125	Sterimol/L: 10.8869

Surface and Volume Properties
Accessible surface: 414.46	Positive charged surface: 332.606	Negative charged surface: 81.8537	Volume: 242.875
Hydrophobic surface: 368.051	Hydrophilic surface: 46.409

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.