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MMsINC code: MMs01419683

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C(=O)c1cc(N(C)C)ccc1)CC(=O)NCCCc1ccccc1

InChI:

InChI=1/C20H24N2O3/c1-22(2)18-12-6-11-17(14-18)20(24)25-15-19(23)21-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8258 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.89773	SlogP: 2.65837	Reactive groups: 0

Topological Properties
Globularity: 0.0174225	Sterimol/B1: 3.61719	Sterimol/B2: 3.6184	Sterimol/B3: 4.12479
Sterimol/B4: 4.73328	Sterimol/L: 22.9241

Surface and Volume Properties
Accessible surface: 674.909	Positive charged surface: 463.808	Negative charged surface: 211.101	Volume: 347.25
Hydrophobic surface: 582.698	Hydrophilic surface: 92.211

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.