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MMsINC code: MMs03189550

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O=C/1c2c(nccc2)C(=O)C\C\1=N/CCCCC1CCCCC1

InChI:

InChI=1/C19H24N2O2/c22-17-13-16(19(23)15-10-6-12-21-18(15)17)20-11-5-4-9-14-7-2-1-3-8-14/h6,10,12,14H,1-5,7-9,11,13H2/b20-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5123 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -5.37984	SlogP: 4.0423	Reactive groups: 0

Topological Properties
Globularity: 0.0421737	Sterimol/B1: 2.46835	Sterimol/B2: 3.3491	Sterimol/B3: 4.50662
Sterimol/B4: 4.99314	Sterimol/L: 19.1093

Surface and Volume Properties
Accessible surface: 591.237	Positive charged surface: 415.853	Negative charged surface: 175.384	Volume: 317.25
Hydrophobic surface: 473.762	Hydrophilic surface: 117.475

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.