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MMsINC code: MMs00361883

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O1CCN(CC1)Cc1ccc(cc1)C(=O)NCc1ccccc1C

InChI:

InChI=1/C20H24N2O2/c1-16-4-2-3-5-19(16)14-21-20(23)18-8-6-17(7-9-18)15-22-10-12-24-13-11-22/h2-9H,10-15H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2888 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.93576	SlogP: 3.29002	Reactive groups: 0

Topological Properties
Globularity: 0.0677409	Sterimol/B1: 2.1651	Sterimol/B2: 3.24785	Sterimol/B3: 5.64342
Sterimol/B4: 6.14429	Sterimol/L: 17.8278

Surface and Volume Properties
Accessible surface: 610.928	Positive charged surface: 417.868	Negative charged surface: 193.06	Volume: 330.125
Hydrophobic surface: 545.643	Hydrophilic surface: 65.285

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00361884
ASINEX-ZINC04702073