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MMsINC code: MMs00087158

Type: Ionized
Formula: C₁₁H₅NO₄-2

SMILES:

O=C([O-])c1cc(nc2c1cccc2)C(=O)[O-]

InChI:

InChI=1/C11H7NO4/c13-10(14)7-5-9(11(15)16)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)(H,15,16)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0113 kcal/mol

Physical Properties
Molecular Weight: 215.164 g/mol	logS: -2.58604	SlogP: -1.0382	Reactive groups: 0

Topological Properties
Globularity: 0.0103986	Sterimol/B1: 2.51859	Sterimol/B2: 2.65349	Sterimol/B3: 4.61483
Sterimol/B4: 5.06807	Sterimol/L: 11.6428

Surface and Volume Properties
Accessible surface: 377.119	Positive charged surface: 145.032	Negative charged surface: 227.375	Volume: 182.125
Hydrophobic surface: 185.149	Hydrophilic surface: 191.97

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs00087157
ASINEX-ZINC00183782