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MMsINC code: MMs00678522

Type: Neutral
Formula: C₂₀H₁₆F₃NO₄

SMILES:

FC(F)(F)c1cc(N2C(C(C(=O)C)C(=O)C2=O)c2ccc(OC)cc2)ccc1

InChI:

InChI=1/C20H16F3NO4/c1-11(25)16-17(12-6-8-15(28-2)9-7-12)24(19(27)18(16)26)14-5-3-4-13(10-14)20(21,22)23/h3-10,16-17H,1-2H3/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4556 kcal/mol

Physical Properties
Molecular Weight: 391.345 g/mol	logS: -4.93119	SlogP: 3.9832	Reactive groups: 0

Topological Properties
Globularity: 0.208871	Sterimol/B1: 2.56387	Sterimol/B2: 4.1669	Sterimol/B3: 4.20958
Sterimol/B4: 11.0939	Sterimol/L: 13.8788

Surface and Volume Properties
Accessible surface: 595.352	Positive charged surface: 288.35	Negative charged surface: 307.001	Volume: 331.5
Hydrophobic surface: 379.511	Hydrophilic surface: 215.841

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00678524
CHEMBRIDGE-ZINC01167994