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MMsINC code: MMs00795894

Type: Neutral
Formula: C₁₇H₂₂N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)N1CCCCCC1)c1ccccc1

InChI:

InChI=1/C17H22N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h3-5,8-9,14H,1-2,6-7,10-13H2/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1965 kcal/mol

Physical Properties
Molecular Weight: 286.375 g/mol	logS: -2.29072	SlogP: 2.4421	Reactive groups: 0

Topological Properties
Globularity: 0.141568	Sterimol/B1: 3.25272	Sterimol/B2: 3.93136	Sterimol/B3: 4.29943
Sterimol/B4: 5.19827	Sterimol/L: 14.5425

Surface and Volume Properties
Accessible surface: 507.963	Positive charged surface: 343.809	Negative charged surface: 164.154	Volume: 285
Hydrophobic surface: 453.489	Hydrophilic surface: 54.474

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.