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MMsINC code: MMs00569561

Type: Neutral
Formula: C₂₀H₂₂FNO₃

SMILES:

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

InChI:

InChI=1/C20H22FNO3/c1-20(2,3)14-10-8-13(9-11-14)17(12-18(23)24)22-19(25)15-6-4-5-7-16(15)21/h4-11,17H,12H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7346 kcal/mol

Physical Properties
Molecular Weight: 343.398 g/mol	logS: -5.49123	SlogP: 4.1645	Reactive groups: 0

Topological Properties
Globularity: 0.07577	Sterimol/B1: 3.3514	Sterimol/B2: 3.84953	Sterimol/B3: 4.86622
Sterimol/B4: 6.71963	Sterimol/L: 16.7328

Surface and Volume Properties
Accessible surface: 591.579	Positive charged surface: 347.732	Negative charged surface: 243.848	Volume: 331.125
Hydrophobic surface: 431.463	Hydrophilic surface: 160.116

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

MMs00569562
CHEMBLOCK-ZINC04689763