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MMsINC code: MMs00991646

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(c1ccccc1C)c1n(ccc1)CC(=O)NC1CCCC1

InChI:

InChI=1/C19H22N2O2/c1-14-7-2-5-10-16(14)19(23)17-11-6-12-21(17)13-18(22)20-15-8-3-4-9-15/h2,5-7,10-12,15H,3-4,8-9,13H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9768 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.55025	SlogP: 3.35272	Reactive groups: 0

Topological Properties
Globularity: 0.0980754	Sterimol/B1: 2.15343	Sterimol/B2: 3.08659	Sterimol/B3: 5.69478
Sterimol/B4: 6.79106	Sterimol/L: 16.2357

Surface and Volume Properties
Accessible surface: 578.304	Positive charged surface: 372.458	Negative charged surface: 205.846	Volume: 319.875
Hydrophobic surface: 513.614	Hydrophilic surface: 64.69

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.