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MMsINC code: MMs02179496

Type: Neutral
Formula: C₁₈H₂₃N

SMILES:

N(CC(C)c1ccccc1)CC(C)c1ccccc1

InChI:

InChI=1/C18H23N/c1-15(17-9-5-3-6-10-17)13-19-14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3324 kcal/mol

Physical Properties
Molecular Weight: 253.389 g/mol	logS: -3.41976	SlogP: 4.1834	Reactive groups: 0

Topological Properties
Globularity: 0.0899347	Sterimol/B1: 2.10703	Sterimol/B2: 2.64412	Sterimol/B3: 4.46597
Sterimol/B4: 5.60628	Sterimol/L: 16.6646

Surface and Volume Properties
Accessible surface: 543.46	Positive charged surface: 343.1	Negative charged surface: 200.36	Volume: 287
Hydrophobic surface: 493.326	Hydrophilic surface: 50.134

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02179497
MDPI-ZINC03846046