ZINC 12

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ZINC Item

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59012126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-1-yl)-2-(2-fluoro-4-nitro-phenoxy)ethanone 1-(azetidin-1-yl)-2-(2-fluoro-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	6.62	-18.81	0	6	0	75	254.217	4	↓ MOL2 SDF SMILES Flexibase

59012698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-1-yl)-2-(2-methyl-3-nitro-phenoxy)ethanone 1-(azetidin-1-yl)-2-(2-methyl-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	7.22	-18.52	0	6	0	75	250.254	4	↓ MOL2 SDF SMILES Flexibase

62808339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-fluorophenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.73	2.48	-15.74	1	4	0	50	225.219	3	↓ MOL2 SDF SMILES Flexibase

62808341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3-hydroxyazetidin-1-yl)-2-phenoxy-propan-1-one (2S)-1-(3-hydroxyazetidin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	2.79	-16.33	1	4	0	50	221.256	3	↓ MOL2 SDF SMILES Flexibase

62808342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3-hydroxyazetidin-1-yl)-2-phenoxy-propan-1-one (2R)-1-(3-hydroxyazetidin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	2.81	-16.61	1	4	0	50	221.256	3	↓ MOL2 SDF SMILES Flexibase

62808343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-chloro-phenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2-bromo-4-chloro-phenoxy)-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	3.57	-16.7	1	4	0	50	320.57	3	↓ MOL2 SDF SMILES Flexibase

62808354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	3.12	-15.96	1	4	0	50	221.256	3	↓ MOL2 SDF SMILES Flexibase

62808380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(3,4-dichlorophenoxy)-1-(3-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	3.39	-14.24	1	4	0	50	276.119	3	↓ MOL2 SDF SMILES Flexibase

62808567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-phenoxy-ethanone 1-(3-hydroxyazetidin-1-yl)-2-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.56	2.41	-16.25	1	4	0	50	207.229	3	↓ MOL2 SDF SMILES Flexibase

62808580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-chlorophenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	2.93	-15.3	1	4	0	50	241.674	3	↓ MOL2 SDF SMILES Flexibase

62808657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethylphenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2,4-dimethylphenoxy)-1-(3-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	3.79	-15.91	1	4	0	50	235.283	3	↓ MOL2 SDF SMILES Flexibase

62808734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(3-fluorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	2.86	-17.68	1	4	0	50	239.246	3	↓ MOL2 SDF SMILES Flexibase

62808735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(3-fluorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	2.88	-15.18	1	4	0	50	239.246	3	↓ MOL2 SDF SMILES Flexibase

62808736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(2-fluorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	2.86	-20.5	1	4	0	50	239.246	3	↓ MOL2 SDF SMILES Flexibase

62808737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(2-fluorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	2.88	-17.64	1	4	0	50	239.246	3	↓ MOL2 SDF SMILES Flexibase

62808746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(3-chlorophenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	2.93	-14.65	1	4	0	50	241.674	3	↓ MOL2 SDF SMILES Flexibase

62808748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dibromophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2,4-dibromophenoxy)-1-(3-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	3.67	-16.6	1	4	0	50	365.021	3	↓ MOL2 SDF SMILES Flexibase

62808749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(4-fluorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	2.86	-15.59	1	4	0	50	239.246	3	↓ MOL2 SDF SMILES Flexibase

62808750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(4-fluorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	2.88	-15.84	1	4	0	50	239.246	3	↓ MOL2 SDF SMILES Flexibase

62808753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(3-chlorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	3.31	-16.87	1	4	0	50	255.701	3	↓ MOL2 SDF SMILES Flexibase

62808754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-chlorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(3-chlorophenoxy)-1-(3-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	3.33	-14.92	1	4	0	50	255.701	3	↓ MOL2 SDF SMILES Flexibase

62808767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-chloro-phenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-bromo-2-chloro-phenoxy)-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	3.56	-16.82	1	4	0	50	320.57	3	↓ MOL2 SDF SMILES Flexibase

62808774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	1.69	-16.74	1	5	0	59	237.255	4	↓ MOL2 SDF SMILES Flexibase

62808775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2-chlorophenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.19	2.95	-18.14	1	4	0	50	241.674	3	↓ MOL2 SDF SMILES Flexibase

62808776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(3-methylphenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.99	3.09	-16.43	1	4	0	50	221.256	3	↓ MOL2 SDF SMILES Flexibase

62808781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(3-bromophenoxy)-1-(3-hydroxya…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.35	3.03	-14.53	1	4	0	50	286.125	3	↓ MOL2 SDF SMILES Flexibase

62808804

Analogs

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Popular Name: 2-[2-(3-hydroxyazetidin-1-yl)-2-oxo-ethoxy]benzamide 2-[2-(3-hydroxyazetidin-1-yl)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.12	0.21	-27.8	3	6	0	93	250.254	4	↓ MOL2 SDF SMILES Flexibase

62808848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(2-methoxy-4-methyl-phenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	2.83	-19.93	1	5	0	59	251.282	4	↓ MOL2 SDF SMILES Flexibase

62808849

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(2-isopropylphenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	4.38	-15.98	1	4	0	50	249.31	4	↓ MOL2 SDF SMILES Flexibase

62808851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	4.63	-15.32	1	4	0	50	249.31	3	↓ MOL2 SDF SMILES Flexibase

62808856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(4-chloro-2-methyl-phenox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	4.02	-15.15	1	4	0	50	269.728	3	↓ MOL2 SDF SMILES Flexibase

62808857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chloro-2-methyl-phenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(4-chloro-2-methyl-phenox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	4.04	-15.2	1	4	0	50	269.728	3	↓ MOL2 SDF SMILES Flexibase

62808859

Analogs

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Popular Name: 2-(4-ethoxyphenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-ethoxyphenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.00	2.62	-16.52	1	5	0	59	251.282	5	↓ MOL2 SDF SMILES Flexibase

62808877

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(4-nitrophenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.52	3.12	-18.31	1	7	0	96	252.226	4	↓ MOL2 SDF SMILES Flexibase

62808894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenoxy)-1-(3-hydroxyazetidin-1-yl)-2-methyl-propan-1-one 2-(4-fluorophenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	2.87	-14.22	1	4	0	50	253.273	3	↓ MOL2 SDF SMILES Flexibase

62808900

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(2-nitrophenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.47	3.61	-27.09	1	7	0	96	252.226	4	↓ MOL2 SDF SMILES Flexibase

62808923

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(3-nitrophenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.50	3.11	-22.3	1	7	0	96	252.226	4	↓ MOL2 SDF SMILES Flexibase

62808926

Analogs

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Popular Name: 2-[(1S)-2-(3-hydroxyazetidin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile 2-[(1S)-2-(3-hydroxyazetidin-1-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.63	3.19	-24.03	1	5	0	74	246.266	3	↓ MOL2 SDF SMILES Flexibase

62808927

Analogs

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Popular Name: 2-[(1R)-2-(3-hydroxyazetidin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile 2-[(1R)-2-(3-hydroxyazetidin-1-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.63	3.22	-24	1	5	0	74	246.266	3	↓ MOL2 SDF SMILES Flexibase

62808945

Analogs

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Popular Name: 4-[(1S)-2-(3-hydroxyazetidin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile 4-[(1S)-2-(3-hydroxyazetidin-1-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	3.2	-17.71	1	5	0	74	246.266	3	↓ MOL2 SDF SMILES Flexibase

62808946

Analogs

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Popular Name: 4-[(1R)-2-(3-hydroxyazetidin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile 4-[(1R)-2-(3-hydroxyazetidin-1-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	3.22	-17.81	1	5	0	74	246.266	3	↓ MOL2 SDF SMILES Flexibase

62808959

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2,4-dichlorophenoxy)-1-(3-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	3.46	-16.99	1	4	0	50	276.119	3	↓ MOL2 SDF SMILES Flexibase

62808971

Analogs

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Popular Name: 2-(2-chloro-4-fluoro-phenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2-chloro-4-fluoro-phenoxy)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	3.01	-17.34	1	4	0	50	259.664	3	↓ MOL2 SDF SMILES Flexibase

62808979

Analogs

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Popular Name: (2S)-2-(2,4-dichlorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(2,4-dichlorophenoxy)-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	3.84	-16.85	1	4	0	50	290.146	3	↓ MOL2 SDF SMILES Flexibase

62808980

Analogs

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Popular Name: (2R)-2-(2,4-dichlorophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(2,4-dichlorophenoxy)-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	3.86	-14.34	1	4	0	50	290.146	3	↓ MOL2 SDF SMILES Flexibase

62808984

Analogs

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Popular Name: 2-(4-chlorophenoxy)-1-(3-hydroxyazetidin-1-yl)-2-methyl-propan-1-one 2-(4-chlorophenoxy)-1-(3-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	3.32	-13.74	1	4	0	50	269.728	3	↓ MOL2 SDF SMILES Flexibase

62809026

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(3-isopropylphenoxy)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	4.32	-16.23	1	4	0	50	249.31	4	↓ MOL2 SDF SMILES Flexibase

62809047

Analogs

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Popular Name: (2S)-1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one (2S)-1-(3-hydroxyazetidin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.98	2.08	-17.13	1	5	0	59	251.282	4	↓ MOL2 SDF SMILES Flexibase

62809048

Analogs

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Popular Name: (2R)-1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one (2R)-1-(3-hydroxyazetidin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.98	2.11	-17.34	1	5	0	59	251.282	4	↓ MOL2 SDF SMILES Flexibase

62809127

Analogs

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Popular Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(2-bromo-4-chloro-phenoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	3.95	-16.58	1	4	0	50	334.597	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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