MMsINC Database Search


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MMsINC code: MMs00099555

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O(C)c1ccccc1C(=O)N1CCN(CC1)Cc1cc(ccc1)C

InChI:

InChI=1/C20H24N2O2/c1-16-6-5-7-17(14-16)15-21-10-12-22(13-11-21)20(23)18-8-3-4-9-19(18)24-2/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.07 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.76395	SlogP: 3.22802	Reactive groups: 0

Topological Properties
Globularity: 0.13484	Sterimol/B1: 2.17141	Sterimol/B2: 3.59131	Sterimol/B3: 5.47317
Sterimol/B4: 8.22157	Sterimol/L: 15.4254

Surface and Volume Properties
Accessible surface: 604.993	Positive charged surface: 430.104	Negative charged surface: 174.889	Volume: 334.625
Hydrophobic surface: 565.958	Hydrophilic surface: 39.035

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00099556
ASINEX-ZINC00250528