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MMsINC code: MMs00382033

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O1CCN(CC1)Cc1ccc(cc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C20H24N2O2/c1-16(18-5-3-2-4-6-18)21-20(23)19-9-7-17(8-10-19)15-22-11-13-24-14-12-22/h2-10,16H,11-15H2,1H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3501 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.78905	SlogP: 3.3717	Reactive groups: 0

Topological Properties
Globularity: 0.0653864	Sterimol/B1: 1.969	Sterimol/B2: 3.65287	Sterimol/B3: 5.6636
Sterimol/B4: 6.02586	Sterimol/L: 18.7352

Surface and Volume Properties
Accessible surface: 611.718	Positive charged surface: 413.269	Negative charged surface: 198.449	Volume: 331.5
Hydrophobic surface: 538.42	Hydrophilic surface: 73.298

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

MMs00382034
ASINEX-ZINC04851573