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MMsINC code: MMs03784830

Type: Neutral
Formula: C₁₆H₂₂N₂O₃

SMILES:

OCC(NC(=O)c1ccccc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C16H22N2O3/c19-11-14(16(21)17-13-9-5-2-6-10-13)18-15(20)12-7-3-1-4-8-12/h1,3-4,7-8,13-14,19H,2,5-6,9-11H2,(H,17,21)(H,18,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9659 kcal/mol

Physical Properties
Molecular Weight: 290.363 g/mol	logS: -2.97218	SlogP: 1.2262	Reactive groups: 0

Topological Properties
Globularity: 0.0589844	Sterimol/B1: 2.74949	Sterimol/B2: 3.01886	Sterimol/B3: 3.85071
Sterimol/B4: 5.916	Sterimol/L: 17.051

Surface and Volume Properties
Accessible surface: 557.611	Positive charged surface: 375.971	Negative charged surface: 181.641	Volume: 288.25
Hydrophobic surface: 448.92	Hydrophilic surface: 108.691

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.