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MMsINC code: MMs02184171

Type: Tautomer
Formula: C₂₃H₁₉N₃O₂

SMILES:

OC=1c2c(N(C(=O)C=1/C(=N/Cc1cccnc1)/C)c1ccccc1)cccc2

InChI:

InChI=1/C23H19N3O2/c1-16(25-15-17-8-7-13-24-14-17)21-22(27)19-11-5-6-12-20(19)26(23(21)28)18-9-3-2-4-10-18/h2-14,27H,15H2,1H3/b25-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.507 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -4.55997	SlogP: 4.9565	Reactive groups: 0

Topological Properties
Globularity: 0.252653	Sterimol/B1: 1.969	Sterimol/B2: 4.40963	Sterimol/B3: 7.14145
Sterimol/B4: 7.19337	Sterimol/L: 13.9905

Surface and Volume Properties
Accessible surface: 616.258	Positive charged surface: 374.979	Negative charged surface: 241.279	Volume: 359.25
Hydrophobic surface: 544.947	Hydrophilic surface: 71.311

Pharmacophoric Properties
Hydrogen bond donors: 1	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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Parent related molecule:

MMs02184170
MDPI-ZINC04235198