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MMsINC code: MMs01735926

Type: Ionized
Formula: C₁₀H₇N₂O₄-

SMILES:

O=C1N(CC(=O)[O-])C(=O)Nc2c1cccc2

InChI:

InChI=1/C10H8N2O4/c13-8(14)5-12-9(15)6-3-1-2-4-7(6)11-10(12)16/h1-4H,5H2,(H,11,16)(H,13,14)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1823 kcal/mol

Physical Properties
Molecular Weight: 219.176 g/mol	logS: -2.0882	SlogP: -0.5758	Reactive groups: 0

Topological Properties
Globularity: 0.0521175	Sterimol/B1: 2.60205	Sterimol/B2: 2.91985	Sterimol/B3: 3.6788
Sterimol/B4: 5.29737	Sterimol/L: 12.6448

Surface and Volume Properties
Accessible surface: 386.679	Positive charged surface: 189.054	Negative charged surface: 197.625	Volume: 185.75
Hydrophobic surface: 203.855	Hydrophilic surface: 182.824

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs01735925
IBS-ZINC00424180