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MMsINC code: MMs01893250

Type: Neutral
Formula: C₁₇H₁₂F₆N₂O₃

SMILES:

FC(F)(F)C(Nc1ccccc1C(O)=O)(NC(=O)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C17H12F6N2O3/c18-16(19,20)15(17(21,22)23,25-13(26)10-6-2-1-3-7-10)24-12-9-5-4-8-11(12)14(27)28/h1-9,24H,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.34 kcal/mol

Physical Properties
Molecular Weight: 406.282 g/mol	logS: -5.31315	SlogP: 4.8874	Reactive groups: 0

Topological Properties
Globularity: 0.250161	Sterimol/B1: 3.55456	Sterimol/B2: 4.16755	Sterimol/B3: 4.55507
Sterimol/B4: 6.60959	Sterimol/L: 13.9928

Surface and Volume Properties
Accessible surface: 545.244	Positive charged surface: 222.064	Negative charged surface: 323.18	Volume: 305
Hydrophobic surface: 292.18	Hydrophilic surface: 253.064

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules

MMs01893251
IBS-ZINC04785813