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MMsINC code: MMs02865319

Type: Ionized
Formula: C₁₁H₆N₂O₅-2

SMILES:

O=C([O-])c1cc2c([nH]cc2)cc1NC(=O)C(=O)[O-]

InChI:

InChI=1/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6189 kcal/mol

Physical Properties
Molecular Weight: 246.178 g/mol	logS: -2.36301	SlogP: -1.7802	Reactive groups: 0

Topological Properties
Globularity: 4.82905e-08	Sterimol/B1: 2.0974	Sterimol/B2: 2.09752	Sterimol/B3: 4.31244
Sterimol/B4: 5.33498	Sterimol/L: 13.1286

Surface and Volume Properties
Accessible surface: 415.102	Positive charged surface: 169.69	Negative charged surface: 240.113	Volume: 200.5
Hydrophobic surface: 148.394	Hydrophilic surface: 266.708

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 4	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:

MMs02865318
PUBCHEM-ZINC02047295