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MMsINC code: MMs00401479

Type: Neutral
Formula: C₂₀H₁₈FNO₄

SMILES:

Fc1cc(ccc1)C1N(CCOC)C(=O)C(=O)C1C(=O)c1ccccc1

InChI:

InChI=1/C20H18FNO4/c1-26-11-10-22-17(14-8-5-9-15(21)12-14)16(19(24)20(22)25)18(23)13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6082 kcal/mol

Physical Properties
Molecular Weight: 355.365 g/mol	logS: -4.19856	SlogP: 2.5191	Reactive groups: 0

Topological Properties
Globularity: 0.161488	Sterimol/B1: 2.33886	Sterimol/B2: 3.70104	Sterimol/B3: 4.72086
Sterimol/B4: 10.8679	Sterimol/L: 14.6178

Surface and Volume Properties
Accessible surface: 590.958	Positive charged surface: 342.846	Negative charged surface: 248.111	Volume: 327.375
Hydrophobic surface: 500.245	Hydrophilic surface: 90.713

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

MMs00401481
ASINEX-ZINC04906483