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MMsINC code: MMs03414039

Type: Ionized
Formula: C₁₄H₈N₂O₅-2

SMILES:

O=C([O-])c1ccccc1N=[N+]([O-])c1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H10N2O5/c17-13(18)9-5-1-3-7-11(9)15-16(21)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)/p-2/b16-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5752 kcal/mol

Physical Properties
Molecular Weight: 284.227 g/mol	logS: -4.07067	SlogP: 0.3393	Reactive groups: 0

Topological Properties
Globularity: 0.0154602	Sterimol/B1: 2.40747	Sterimol/B2: 3.47597	Sterimol/B3: 4.52509
Sterimol/B4: 5.68897	Sterimol/L: 14.0838

Surface and Volume Properties
Accessible surface: 459.897	Positive charged surface: 182.698	Negative charged surface: 277.199	Volume: 244.125
Hydrophobic surface: 284.97	Hydrophilic surface: 174.927

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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:

MMs03414038
PUBCHEM-ZINC05846642