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MMsINC code: MMs02521500

Type: Neutral
Formula: C₁₅H₂₂N₂O₂

SMILES:

O=C(C)c1c(C)c([nH]c1C)C(=O)N1CCCCCC1

InChI:

InChI=1/C15H22N2O2/c1-10-13(12(3)18)11(2)16-14(10)15(19)17-8-6-4-5-7-9-17/h16H,4-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1722 kcal/mol

Physical Properties
Molecular Weight: 262.353 g/mol	logS: -1.76321	SlogP: 2.85034	Reactive groups: 0

Topological Properties
Globularity: 0.134405	Sterimol/B1: 1.97462	Sterimol/B2: 4.13155	Sterimol/B3: 4.32085
Sterimol/B4: 7.20229	Sterimol/L: 13.8156

Surface and Volume Properties
Accessible surface: 498.418	Positive charged surface: 332.859	Negative charged surface: 165.559	Volume: 270.75
Hydrophobic surface: 412.685	Hydrophilic surface: 85.733

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.