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MMsINC code: MMs00990934

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O=C(c1ccccc1)c1n(ccc1)CC(=O)NC1CCCC1

InChI:

InChI=1/C18H20N2O2/c21-17(19-15-9-4-5-10-15)13-20-12-6-11-16(20)18(22)14-7-2-1-3-8-14/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3233 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.07633	SlogP: 3.0443	Reactive groups: 0

Topological Properties
Globularity: 0.0692554	Sterimol/B1: 2.85881	Sterimol/B2: 3.01985	Sterimol/B3: 4.19428
Sterimol/B4: 7.62464	Sterimol/L: 16.1871

Surface and Volume Properties
Accessible surface: 560.357	Positive charged surface: 350.492	Negative charged surface: 209.866	Volume: 300
Hydrophobic surface: 488.384	Hydrophilic surface: 71.973

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.