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MMsINC code: MMs01655418

Type: Neutral
Formula: C₁₉H₁₉N₃O₂

SMILES:

O=C1N(C=Nc2c1cccc2)CC(=O)N(Cc1ccccc1C)C

InChI:

InChI=1/C19H19N3O2/c1-14-7-3-4-8-15(14)11-21(2)18(23)12-22-13-20-17-10-6-5-9-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0022 kcal/mol

Physical Properties
Molecular Weight: 321.38 g/mol	logS: -4.29014	SlogP: 3.03562	Reactive groups: 0

Topological Properties
Globularity: 0.116909	Sterimol/B1: 2.34047	Sterimol/B2: 4.39154	Sterimol/B3: 4.94842
Sterimol/B4: 6.17175	Sterimol/L: 16.2416

Surface and Volume Properties
Accessible surface: 574.61	Positive charged surface: 359.89	Negative charged surface: 214.72	Volume: 316.375
Hydrophobic surface: 478.545	Hydrophilic surface: 96.065

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.