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MMsINC code: MMs02852468

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O(CC1CCCN(C1)CC)C(=O)Nc1ccccc1C

InChI:

InChI=1/C16H24N2O2/c1-3-18-10-6-8-14(11-18)12-20-16(19)17-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3,(H,17,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6308 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.67807	SlogP: 3.27542	Reactive groups: 0

Topological Properties
Globularity: 0.022207	Sterimol/B1: 2.55502	Sterimol/B2: 3.70392	Sterimol/B3: 4.06815
Sterimol/B4: 4.93115	Sterimol/L: 18.2057

Surface and Volume Properties
Accessible surface: 558.864	Positive charged surface: 408.095	Negative charged surface: 150.769	Volume: 289.5
Hydrophobic surface: 489.778	Hydrophilic surface: 69.086

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02852469
PUBCHEM-ZINC02016394