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MMsINC code: MMs00534042

Type: Neutral
Formula: C₁₆H₂₂N₂O₃

SMILES:

OC(CNC(=O)C(=O)NC1CCCCC1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4837 kcal/mol

Physical Properties
Molecular Weight: 290.363 g/mol	logS: -2.97218	SlogP: 1.3806	Reactive groups: 0

Topological Properties
Globularity: 0.0335223	Sterimol/B1: 2.46568	Sterimol/B2: 3.52997	Sterimol/B3: 3.99702
Sterimol/B4: 4.10656	Sterimol/L: 18.9811

Surface and Volume Properties
Accessible surface: 565.83	Positive charged surface: 374.237	Negative charged surface: 191.593	Volume: 288.5
Hydrophobic surface: 433.231	Hydrophilic surface: 132.599

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.