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MMsINC code: MMs00708471

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

o1nc(nc1-c1ccccc1C(=O)NCCOC)-c1ccccc1OC

InChI:

InChI=1/C19H19N3O4/c1-24-12-11-20-18(23)13-7-3-4-8-14(13)19-21-17(22-26-19)15-9-5-6-10-16(15)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.682 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -6.37672	SlogP: 2.7884	Reactive groups: 0

Topological Properties
Globularity: 0.0210701	Sterimol/B1: 2.54795	Sterimol/B2: 3.59552	Sterimol/B3: 4.13236
Sterimol/B4: 9.04203	Sterimol/L: 18.3965

Surface and Volume Properties
Accessible surface: 643.918	Positive charged surface: 458.399	Negative charged surface: 185.518	Volume: 332.5
Hydrophobic surface: 559.119	Hydrophilic surface: 84.799

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.