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MMsINC code: MMs03210248

Type: Neutral
Formula: C₂₄H₃₄N₂O

SMILES:

O(CC(C)C)CC(N(Cc1ccccc1)c1ccccc1)CN1CCCC1

InChI:

InChI=1/C24H34N2O/c1-21(2)19-27-20-24(18-25-15-9-10-16-25)26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=209.822 kcal/mol

Physical Properties
Molecular Weight: 366.549 g/mol	logS: -4.40385	SlogP: 5.0966	Reactive groups: 0

Topological Properties
Globularity: 0.230809	Sterimol/B1: 4.05467	Sterimol/B2: 4.3201	Sterimol/B3: 5.2936
Sterimol/B4: 6.15379	Sterimol/L: 15.8827

Surface and Volume Properties
Accessible surface: 604.326	Positive charged surface: 451.667	Negative charged surface: 152.659	Volume: 395.75
Hydrophobic surface: 560.269	Hydrophilic surface: 44.057

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03210249
PUBCHEM-ZINC05138256