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MMsINC code: MMs00845287

Type: Tautomer
Formula: C₁₀H₁₀N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)\C=C(/O)\N)cc1

InChI:

InChI=1/C10H10N2O4/c11-8(13)5-9(14)12-7-3-1-6(2-4-7)10(15)16/h1-5,13H,11H2,(H,12,14)(H,15,16)/b8-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9366 kcal/mol

Physical Properties
Molecular Weight: 222.2 g/mol	logS: -1.48359	SlogP: 0.6814	Reactive groups: 0

Topological Properties
Globularity: 0.0137568	Sterimol/B1: 2.17245	Sterimol/B2: 2.51071	Sterimol/B3: 2.86201
Sterimol/B4: 5.15142	Sterimol/L: 15.2119

Surface and Volume Properties
Accessible surface: 424.768	Positive charged surface: 257.348	Negative charged surface: 167.42	Volume: 193.375
Hydrophobic surface: 185.368	Hydrophilic surface: 239.4

Pharmacophoric Properties
Hydrogen bond donors: 5	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

search links for this molecule:

Parent related molecule:

MMs00845284
CHEMDIV-ZINC00240936