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MMsINC code: MMs03211633

Type: Neutral
Formula: C₂₀H₂₆N₂

SMILES:

N(CCCNCC)(C1Cc2c(C1)cccc2)c1ccccc1

InChI:

InChI=1/C20H26N2/c1-2-21-13-8-14-22(19-11-4-3-5-12-19)20-15-17-9-6-7-10-18(17)16-20/h3-7,9-12,20-21H,2,8,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0776 kcal/mol

Physical Properties
Molecular Weight: 294.442 g/mol	logS: -3.62145	SlogP: 3.65994	Reactive groups: 0

Topological Properties
Globularity: 0.0887546	Sterimol/B1: 3.01451	Sterimol/B2: 3.06908	Sterimol/B3: 4.90629
Sterimol/B4: 7.93261	Sterimol/L: 17.387

Surface and Volume Properties
Accessible surface: 590.125	Positive charged surface: 404.614	Negative charged surface: 185.51	Volume: 323.875
Hydrophobic surface: 542.295	Hydrophilic surface: 47.83

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

MMs03211634
PUBCHEM-ZINC05139692