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MMsINC code: MMs01042353

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(C)c1[nH]c(C)c(C(=O)NC2CCC(CC2)C)c1C

InChI:

InChI=1/C16H24N2O2/c1-9-5-7-13(8-6-9)18-16(20)14-10(2)15(12(4)19)17-11(14)3/h9,13,17H,5-8H2,1-4H3,(H,18,20)/t9-,13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8309 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.89964	SlogP: 3.14264	Reactive groups: 0

Topological Properties
Globularity: 0.13321	Sterimol/B1: 1.969	Sterimol/B2: 4.06781	Sterimol/B3: 4.14272
Sterimol/B4: 7.14471	Sterimol/L: 14.5908

Surface and Volume Properties
Accessible surface: 529.7	Positive charged surface: 353.36	Negative charged surface: 176.34	Volume: 284.5
Hydrophobic surface: 422.71	Hydrophilic surface: 106.99

Pharmacophoric Properties
Hydrogen bond donors: 2	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.