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MMsINC code: MMs02028615

Type: Ionized
Formula: C₂₀H₁₄N₂O₄-2

SMILES:

O=C([O-])c1ccccc1Nc1ccccc1Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C20H16N2O4/c23-19(24)13-7-1-3-9-15(13)21-17-11-5-6-12-18(17)22-16-10-4-2-8-14(16)20(25)26/h1-12,21-22H,(H,23,24)(H,25,26)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.103 kcal/mol

Physical Properties
Molecular Weight: 346.342 g/mol	logS: -5.08522	SlogP: 1.9008	Reactive groups: 0

Topological Properties
Globularity: 0.106723	Sterimol/B1: 3.39454	Sterimol/B2: 4.32985	Sterimol/B3: 4.70664
Sterimol/B4: 6.65964	Sterimol/L: 15.6122

Surface and Volume Properties
Accessible surface: 573.524	Positive charged surface: 267.59	Negative charged surface: 305.934	Volume: 320.375
Hydrophobic surface: 427.669	Hydrophilic surface: 145.855

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Parent related molecule:

MMs02028614
IFLAB-ZINC04247392