MMsINC Database Search


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MMsINC code: MMs02304379

Type: Neutral
Formula: C₁₅H₂₄N+

SMILES:

[N+]1(CCCCC1)(CCc1ccccc1)CC

InChI:

InChI=1/C15H24N/c1-2-16(12-7-4-8-13-16)14-11-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5095 kcal/mol

Physical Properties
Molecular Weight: 218.364 g/mol	logS: -2.26878	SlogP: 3.24967	Reactive groups: 0

Topological Properties
Globularity: 0.153936	Sterimol/B1: 2.08891	Sterimol/B2: 2.70965	Sterimol/B3: 4.77649
Sterimol/B4: 6.44967	Sterimol/L: 13.8312

Surface and Volume Properties
Accessible surface: 461.52	Positive charged surface: 326.966	Negative charged surface: 134.554	Volume: 247.375
Hydrophobic surface: 428.782	Hydrophilic surface: 32.738

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.