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MMsINC code: MMs00094292

Type: Ionized
Formula: C₁₅H₈O₅-2

SMILES:

O=C(c1cc(ccc1C(=O)[O-])C(=O)[O-])c1ccccc1

InChI:

InChI=1/C15H10O5/c16-13(9-4-2-1-3-5-9)12-8-10(14(17)18)6-7-11(12)15(19)20/h1-8H,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9023 kcal/mol

Physical Properties
Molecular Weight: 268.224 g/mol	logS: -3.91739	SlogP: -0.3554	Reactive groups: 0

Topological Properties
Globularity: 0.143772	Sterimol/B1: 3.11367	Sterimol/B2: 4.49666	Sterimol/B3: 4.89002
Sterimol/B4: 5.1953	Sterimol/L: 13.669

Surface and Volume Properties
Accessible surface: 448.318	Positive charged surface: 177.888	Negative charged surface: 270.43	Volume: 235.625
Hydrophobic surface: 261.81	Hydrophilic surface: 186.508

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:

MMs00094291
ASINEX-ZINC00225934