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MMsINC code: MMs00231460

Type: Ionized
Formula: C₂₁H₁₃F₂N₂O₄-

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1NC(=O)c1ccccc1F)C(=O)[O-]

InChI:

InChI=1/C21H14F2N2O4/c22-15-7-3-1-5-13(15)19(26)24-17-10-9-12(21(28)29)11-18(17)25-20(27)14-6-2-4-8-16(14)23/h1-11H,(H,24,26)(H,25,27)(H,28,29)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3349 kcal/mol

Physical Properties
Molecular Weight: 395.341 g/mol	logS: -6.14467	SlogP: 2.8329	Reactive groups: 0

Topological Properties
Globularity: 0.114059	Sterimol/B1: 2.4559	Sterimol/B2: 5.54422	Sterimol/B3: 5.83857
Sterimol/B4: 9.2297	Sterimol/L: 13.7881

Surface and Volume Properties
Accessible surface: 640.864	Positive charged surface: 285.668	Negative charged surface: 355.196	Volume: 342.625
Hydrophobic surface: 488.812	Hydrophilic surface: 152.052

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:

MMs00231459
ASINEX-ZINC01216158