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MMsINC code: MMs00498103

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1ccccc1C(=O)NC(CC(O)=O)c1ccc(OCC)cc1

InChI:

InChI=1/C18H18FNO4/c1-2-24-13-9-7-12(8-10-13)16(11-17(21)22)20-18(23)14-5-3-4-6-15(14)19/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5939 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -3.84924	SlogP: 3.2657	Reactive groups: 0

Topological Properties
Globularity: 0.0593659	Sterimol/B1: 2.87607	Sterimol/B2: 3.46321	Sterimol/B3: 3.58911
Sterimol/B4: 8.74022	Sterimol/L: 17.1148

Surface and Volume Properties
Accessible surface: 585.98	Positive charged surface: 341.384	Negative charged surface: 244.596	Volume: 305.875
Hydrophobic surface: 441.111	Hydrophilic surface: 144.869

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

MMs00498104
CHEMBLOCK-ZINC00105066