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MMsINC code: MMs00538537

Type: Neutral
Formula: C₁₉H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(OCCC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7944 kcal/mol

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

Topological Properties
Globularity: 0.0526284	Sterimol/B1: 3.20472	Sterimol/B2: 3.26077	Sterimol/B3: 4.0663
Sterimol/B4: 9.0825	Sterimol/L: 18.038

Surface and Volume Properties
Accessible surface: 618.17	Positive charged surface: 360.663	Negative charged surface: 257.506	Volume: 324.75
Hydrophobic surface: 474.27	Hydrophilic surface: 143.9

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

MMs00538538
CHEMBLOCK-ZINC03623659