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MMsINC code: MMs03482381

Type: Ionized
Formula: C₁₈H₁₂FN₂O₄-

SMILES:

Fc1ccccc1CN1C(=O)/C(/NC1=O)=C\c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C18H13FN2O4/c19-14-4-2-1-3-13(14)10-21-16(22)15(20-18(21)25)9-11-5-7-12(8-6-11)17(23)24/h1-9H,10H2,(H,20,25)(H,23,24)/p-1/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.5362 kcal/mol

Physical Properties
Molecular Weight: 339.302 g/mol	logS: -4.66649	SlogP: 1.5485	Reactive groups: 0

Topological Properties
Globularity: 0.080713	Sterimol/B1: 2.48745	Sterimol/B2: 3.03867	Sterimol/B3: 5.04284
Sterimol/B4: 5.68935	Sterimol/L: 17.2399

Surface and Volume Properties
Accessible surface: 556.014	Positive charged surface: 274.307	Negative charged surface: 281.707	Volume: 298.125
Hydrophobic surface: 365.941	Hydrophilic surface: 190.073

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs03482380
PUBCHEM-ZINC05998338