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MMsINC code: MMs00382048

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C20H24N2O4/c1-24-17-7-8-19(25-2)18(13-17)21-20(23)16-5-3-15(4-6-16)14-22-9-11-26-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.299 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.61856	SlogP: 3.0547	Reactive groups: 0

Topological Properties
Globularity: 0.0298429	Sterimol/B1: 2.49708	Sterimol/B2: 3.21291	Sterimol/B3: 3.9597
Sterimol/B4: 8.2833	Sterimol/L: 19.3356

Surface and Volume Properties
Accessible surface: 639.687	Positive charged surface: 497.076	Negative charged surface: 142.611	Volume: 346.875
Hydrophobic surface: 568.269	Hydrophilic surface: 71.418

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs00382049
ASINEX-ZINC04851593