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MMsINC code: MMs03265134

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

O(C)c1cc(N2CCN(CC2)CC(O)Cc2ccccc2)ccc1

InChI:

InChI=1/C20H26N2O2/c1-24-20-9-5-8-18(15-20)22-12-10-21(11-13-22)16-19(23)14-17-6-3-2-4-7-17/h2-9,15,19,23H,10-14,16H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.118 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -3.03623	SlogP: 2.42077	Reactive groups: 0

Topological Properties
Globularity: 0.0473505	Sterimol/B1: 2.44753	Sterimol/B2: 3.37183	Sterimol/B3: 3.88309
Sterimol/B4: 7.23219	Sterimol/L: 18.6099

Surface and Volume Properties
Accessible surface: 618.546	Positive charged surface: 443.65	Negative charged surface: 174.896	Volume: 336
Hydrophobic surface: 562.083	Hydrophilic surface: 56.463

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03265135
PUBCHEM-ZINC05423321