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MMsINC code: MMs00538555

Type: Neutral
Formula: C₁₉H₂₀FNO₄

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)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.337 kcal/mol

Physical Properties
Molecular Weight: 345.37 g/mol	logS: -4.05101	SlogP: 3.6558	Reactive groups: 0

Topological Properties
Globularity: 0.0531254	Sterimol/B1: 2.99776	Sterimol/B2: 3.26491	Sterimol/B3: 4.22343
Sterimol/B4: 9.18837	Sterimol/L: 17.9223

Surface and Volume Properties
Accessible surface: 609.984	Positive charged surface: 362.498	Negative charged surface: 247.485	Volume: 325
Hydrophobic surface: 468.95	Hydrophilic surface: 141.034

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

MMs00538556
CHEMBLOCK-ZINC03623684