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MMsINC code: MMs00427285

Type: Neutral
Formula: C₁₄H₁₁N₃O₄

SMILES:

O=C/1N(CC(O)=O)C(=O)N\C\1=C\c1c2c([nH]c1)cccc2

InChI:

InChI=1/C14H11N3O4/c18-12(19)7-17-13(20)11(16-14(17)21)5-8-6-15-10-4-2-1-3-9(8)10/h1-6,15H,7H2,(H,16,21)(H,18,19)/b11-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.539 kcal/mol

Physical Properties
Molecular Weight: 285.259 g/mol	logS: -2.6595	SlogP: 1.1452	Reactive groups: 0

Topological Properties
Globularity: 0.0450698	Sterimol/B1: 2.67735	Sterimol/B2: 3.61593	Sterimol/B3: 3.6235
Sterimol/B4: 4.97752	Sterimol/L: 15.0295

Surface and Volume Properties
Accessible surface: 485.22	Positive charged surface: 275.126	Negative charged surface: 204.689	Volume: 246
Hydrophobic surface: 248.828	Hydrophilic surface: 236.392

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00427286
ASINEX-ZINC04998002