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MMsINC code: MMs02402569

Type: Ionized
Formula: C₁₄H₈N₂O₅-2

SMILES:

Oc1ccc(N=Nc2ccccc2C(=O)[O-])cc1C(=O)[O-]

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1219 kcal/mol

Physical Properties
Molecular Weight: 284.227 g/mol	logS: -3.37543	SlogP: 0.5346	Reactive groups: 0

Topological Properties
Globularity: 0.0168123	Sterimol/B1: 2.84886	Sterimol/B2: 2.99839	Sterimol/B3: 3.85158
Sterimol/B4: 5.47293	Sterimol/L: 15.0567

Surface and Volume Properties
Accessible surface: 483.037	Positive charged surface: 188.562	Negative charged surface: 294.474	Volume: 240
Hydrophobic surface: 292.997	Hydrophilic surface: 190.04

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Parent related molecule:

MMs02402568
NCID-ZINC04771359