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MMsINC code: MMs00928475

Type: Ionized
Formula: C₂₄H₃₄N₂O+2

SMILES:

O(C)c1ccccc1C[NH+]1CC[NH+](CC1)C1CCC(CC1)c1ccccc1

InChI:

InChI=1/C24H32N2O/c1-27-24-10-6-5-9-22(24)19-25-15-17-26(18-16-25)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-10,21,23H,11-19H2,1H3/p+2/t21-,23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.439 kcal/mol

Physical Properties
Molecular Weight: 366.549 g/mol	logS: -4.27796	SlogP: 1.9714	Reactive groups: 0

Topological Properties
Globularity: 0.0770556	Sterimol/B1: 2.33961	Sterimol/B2: 2.49619	Sterimol/B3: 6.61082
Sterimol/B4: 7.1703	Sterimol/L: 19.9347

Surface and Volume Properties
Accessible surface: 679.667	Positive charged surface: 515.981	Negative charged surface: 163.687	Volume: 404
Hydrophobic surface: 645.218	Hydrophilic surface: 34.449

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

search links for this molecule:

Parent related molecule:

MMs00928474
CHEMDIV-ZINC04133899