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MMsINC code: MMs03540569

Type: Ionized
Formula: C₁₀H₅NO₄-2

SMILES:

O=C([O-])c1c2[nH]c(cc2ccc1)C(=O)[O-]

InChI:

InChI=1/C10H7NO4/c12-9(13)6-3-1-2-5-4-7(10(14)15)11-8(5)6/h1-4,11H,(H,12,13)(H,14,15)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.39 kcal/mol

Physical Properties
Molecular Weight: 203.153 g/mol	logS: -2.2874	SlogP: -1.1051	Reactive groups: 0

Topological Properties
Globularity: 1.75603e-08	Sterimol/B1: 2.09721	Sterimol/B2: 2.0975	Sterimol/B3: 3.06386
Sterimol/B4: 6.36121	Sterimol/L: 11.1475

Surface and Volume Properties
Accessible surface: 364.12	Positive charged surface: 135.153	Negative charged surface: 222.582	Volume: 168.875
Hydrophobic surface: 171.794	Hydrophilic surface: 192.326

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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:

MMs03540568
PUBCHEM-ZINC06094425