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MMsINC code: MMs00766150

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccc(NC(CC(=O)c2ccccc2)C(O)=O)cc1

InChI:

InChI=1/C16H14FNO3/c17-12-6-8-13(9-7-12)18-14(16(20)21)10-15(19)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7662 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -3.45333	SlogP: 2.9638	Reactive groups: 0

Topological Properties
Globularity: 0.0677026	Sterimol/B1: 3.41574	Sterimol/B2: 3.53621	Sterimol/B3: 3.62562
Sterimol/B4: 6.73795	Sterimol/L: 15.7812

Surface and Volume Properties
Accessible surface: 516.68	Positive charged surface: 266.789	Negative charged surface: 249.892	Volume: 264.25
Hydrophobic surface: 396.766	Hydrophilic surface: 119.914

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00766151
CHEMBRIDGE-ZINC04197487