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MMsINC code: MMs00538554

Type: Ionized
Formula: C₁₉H₁₉FNO₄-

SMILES:

Fc1ccccc1C(=O)NC(CC(=O)[O-])c1ccc(OCCC)cc1

InChI:

InChI=1/C19H20FNO4/c1-2-11-25-14-9-7-13(8-10-14)17(12-18(22)23)21-19(24)15-5-3-4-6-16(15)20/h3-10,17H,2,11-12H2,1H3,(H,21,24)(H,22,23)/p-1/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3135 kcal/mol

Physical Properties
Molecular Weight: 344.362 g/mol	logS: -4.31146	SlogP: 2.3211	Reactive groups: 0

Topological Properties
Globularity: 0.0809237	Sterimol/B1: 2.9763	Sterimol/B2: 4.05601	Sterimol/B3: 4.83361
Sterimol/B4: 7.89914	Sterimol/L: 17.5065

Surface and Volume Properties
Accessible surface: 618.828	Positive charged surface: 346.605	Negative charged surface: 272.222	Volume: 325.625
Hydrophobic surface: 474.316	Hydrophilic surface: 144.512

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs00538553
CHEMBLOCK-ZINC03623682