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MMsINC code: MMs02648737

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(C1CCN(CC1)CCc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8968 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.46098	SlogP: 3.80557	Reactive groups: 0

Topological Properties
Globularity: 0.0366718	Sterimol/B1: 3.32888	Sterimol/B2: 3.34193	Sterimol/B3: 3.60002
Sterimol/B4: 4.93327	Sterimol/L: 18.7468

Surface and Volume Properties
Accessible surface: 566.898	Positive charged surface: 381.024	Negative charged surface: 185.874	Volume: 306.375
Hydrophobic surface: 551.301	Hydrophilic surface: 15.597

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
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

MMs02648738
PUBCHEM-ZINC00272395