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MMsINC code: MMs03881929

Type: Ionized
Formula: C₁₅H₁₁N₂O₄-

SMILES:

O=C(Nc1ccc(cc1)C(=O)[O-])c1ccccc1C(=O)N

InChI:

InChI=1/C15H12N2O4/c16-13(18)11-3-1-2-4-12(11)14(19)17-10-7-5-9(6-8-10)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6886 kcal/mol

Physical Properties
Molecular Weight: 283.263 g/mol	logS: -3.83684	SlogP: 0.4013	Reactive groups: 0

Topological Properties
Globularity: 0.0464066	Sterimol/B1: 2.68211	Sterimol/B2: 3.20386	Sterimol/B3: 3.41559
Sterimol/B4: 6.49898	Sterimol/L: 15.5077

Surface and Volume Properties
Accessible surface: 493.889	Positive charged surface: 240.821	Negative charged surface: 253.069	Volume: 254.375
Hydrophobic surface: 287.242	Hydrophilic surface: 206.647

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs03881928
PUBCHEM-ZINC06863703