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MMsINC code: MMs00499877

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

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

InChI:

InChI=1/C17H16FNO3/c1-11-2-4-13(5-3-11)17(22)19-15(10-16(20)21)12-6-8-14(18)9-7-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.8002 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -3.94557	SlogP: 3.17542	Reactive groups: 0

Topological Properties
Globularity: 0.112849	Sterimol/B1: 3.39555	Sterimol/B2: 4.28028	Sterimol/B3: 4.5765
Sterimol/B4: 7.15412	Sterimol/L: 14.6735

Surface and Volume Properties
Accessible surface: 544.386	Positive charged surface: 294.818	Negative charged surface: 249.568	Volume: 281.75
Hydrophobic surface: 429.48	Hydrophilic surface: 114.906

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

MMs00499878
CHEMBLOCK-ZINC00116232