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MMsINC code: MMs00499875

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4612 kcal/mol

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

Topological Properties
Globularity: 0.120525	Sterimol/B1: 3.3355	Sterimol/B2: 4.39402	Sterimol/B3: 4.98561
Sterimol/B4: 7.08884	Sterimol/L: 14.392

Surface and Volume Properties
Accessible surface: 539.555	Positive charged surface: 292.006	Negative charged surface: 247.549	Volume: 281.125
Hydrophobic surface: 421.567	Hydrophilic surface: 117.988

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

MMs00499876
CHEMBLOCK-ZINC00116229