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ZINC Item

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58323782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-isopropoxyphenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(2-isopropoxyphenyl)-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)	3.09	7.46	-12.96	1	5	0	57	321.417	7	↓ MOL2 SDF SMILES Flexibase

58323784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-isopropoxyphenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(2-isopropoxyphenyl)-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)	3.09	7.44	-12.14	1	5	0	57	321.417	7	↓ MOL2 SDF SMILES Flexibase

58323786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-isopropoxyphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(2-isopropoxyphenyl)-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)	3.09	7.46	-11.99	1	5	0	57	321.417	7	↓ MOL2 SDF SMILES Flexibase

58323789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-isopropoxyphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(2-isopropoxyphenyl)-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)	3.09	7.44	-12.95	1	5	0	57	321.417	7	↓ MOL2 SDF SMILES Flexibase

49306886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-fluorophenyl)-2-[[(2S)…

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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)	2.51	6.51	-13.1	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49306889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-fluorophenyl)-2-[[(2S)…

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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)	2.51	6.52	-13.81	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49306892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-fluorophenyl)-2-[[(2R)…

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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)	2.51	6.51	-13.96	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49306894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-fluorophenyl)-2-[[(2R)…

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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)	2.51	6.52	-13.16	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49306925

Analogs

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Popular Name: (2R)-N-(p-tolyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(p-tolyl)-2-[[(2S)-tetrah…

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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)	2.79	7.12	-13.99	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49306927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(p-tolyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(p-tolyl)-2-[[(2S)-tetrah…

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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)	2.79	7.13	-13.08	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49306930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(p-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(p-tolyl)-2-[[(2R)-tetrah…

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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)	2.79	7.12	-13.22	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49306933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(p-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(p-tolyl)-2-[[(2R)-tetrah…

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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)	2.79	7.13	-14.06	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49306936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chlorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(3-chlorophenyl)-2-[[(2S)…

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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)	3.00	6.96	-14.35	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chlorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(3-chlorophenyl)-2-[[(2S)…

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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)	3.00	6.97	-15.29	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chlorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(3-chlorophenyl)-2-[[(2R)…

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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)	3.00	6.96	-15.37	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chlorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(3-chlorophenyl)-2-[[(2R)…

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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)	3.00	6.97	-14.54	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306956

Analogs

21817911
21817915

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-chlorophenyl)-2-[[(2S)…

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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)	3.02	6.96	-12.57	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306959

Analogs

21817911
21817915

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-chlorophenyl)-2-[[(2S)…

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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)	3.02	6.97	-13.24	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306962

Analogs

21817911
21817915

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-chlorophenyl)-2-[[(2R)…

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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)	3.02	6.96	-13.4	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306965

Analogs

21817911
21817915

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-chlorophenyl)-2-[[(2R)…

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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)	3.02	6.97	-12.55	1	4	0	48	297.782	5	↓ MOL2 SDF SMILES Flexibase

49306992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-fluorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(2-fluorophenyl)-2-[[(2S)…

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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)	2.46	6.53	-11.18	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49306997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-fluorophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(2-fluorophenyl)-2-[[(2S)…

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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)	2.46	6.55	-11.93	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49307001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-fluorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(2-fluorophenyl)-2-[[(2R)…

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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)	2.46	6.53	-11.87	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49307004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-fluorophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(2-fluorophenyl)-2-[[(2R)…

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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)	2.46	6.55	-11.04	1	4	0	48	281.327	5	↓ MOL2 SDF SMILES Flexibase

49307204

Analogs

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Popular Name: (2S)-N-(3-iodophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(3-iodophenyl)-2-[[(2S)-t…

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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)	3.40	7.54	-13.83	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49307207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-iodophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(3-iodophenyl)-2-[[(2S)-t…

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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)	3.40	7.55	-14.68	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49307210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-iodophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(3-iodophenyl)-2-[[(2R)-t…

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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)	3.40	7.54	-14.73	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49307213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-iodophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(3-iodophenyl)-2-[[(2R)-t…

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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)	3.40	7.55	-13.97	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49340658

Analogs

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Popular Name: (2R)-N-(o-tolyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(o-tolyl)-2-[[(2S)-tetrah…

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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)	2.74	7.33	-14.02	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49340659

Analogs

21814615
21814618
21814620

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(o-tolyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(o-tolyl)-2-[[(2S)-tetrah…

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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)	2.74	7.35	-13.16	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49340660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(o-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(o-tolyl)-2-[[(2R)-tetrah…

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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)	2.74	7.33	-13.11	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49340661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(o-tolyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(o-tolyl)-2-[[(2R)-tetrah…

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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)	2.74	7.35	-13.92	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49341045

Analogs

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Popular Name: (2S)-N-(2-hydroxyphenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(2-hydroxyphenyl)-2-[[(2S…

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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)	2.08	3.69	-12.56	2	5	0	68	279.336	5	↓ MOL2 SDF SMILES Flexibase

49341046

Analogs

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Popular Name: (2R)-N-(2-hydroxyphenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(2-hydroxyphenyl)-2-[[(2S…

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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)	2.08	3.7	-13.3	2	5	0	68	279.336	5	↓ MOL2 SDF SMILES Flexibase

49341047

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Popular Name: (2S)-N-(2-hydroxyphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(2-hydroxyphenyl)-2-[[(2R…

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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)	2.08	3.69	-13.36	2	5	0	68	279.336	5	↓ MOL2 SDF SMILES Flexibase

49341048

Analogs

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Popular Name: (2R)-N-(2-hydroxyphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(2-hydroxyphenyl)-2-[[(2R…

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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)	2.08	3.7	-12.62	2	5	0	68	279.336	5	↓ MOL2 SDF SMILES Flexibase

49341169

Analogs

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Popular Name: (2S)-N-(3-bromophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(3-bromophenyl)-2-[[(2S)-…

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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)	3.13	7.07	-14.29	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341170

Analogs

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Popular Name: (2R)-N-(3-bromophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(3-bromophenyl)-2-[[(2S)-…

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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)	3.13	7.08	-15.13	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341171

Analogs

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Popular Name: (2S)-N-(3-bromophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(3-bromophenyl)-2-[[(2R)-…

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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)	3.13	7.07	-15.33	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341172

Analogs

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Popular Name: (2R)-N-(3-bromophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(3-bromophenyl)-2-[[(2R)-…

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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)	3.13	7.08	-14.46	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341291

Analogs

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Popular Name: (2S)-N-(4-bromophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-bromophenyl)-2-[[(2S)-…

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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)	3.15	7.07	-12.56	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341292

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Popular Name: (2R)-N-(4-bromophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-bromophenyl)-2-[[(2S)-…

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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)	3.15	7.08	-13.22	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341293

Analogs

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Popular Name: (2S)-N-(4-bromophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-bromophenyl)-2-[[(2R)-…

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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)	3.15	7.07	-13.31	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341294

Analogs

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Popular Name: (2R)-N-(4-bromophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-bromophenyl)-2-[[(2R)-…

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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)	3.15	7.08	-12.53	1	4	0	48	342.233	5	↓ MOL2 SDF SMILES Flexibase

49341311

Analogs

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Popular Name: (2S)-N-(4-iodophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-iodophenyl)-2-[[(2S)-t…

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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)	3.43	7.54	-12.28	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49341312

Analogs

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Popular Name: (2R)-N-(4-iodophenyl)-2-[[(2S)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-iodophenyl)-2-[[(2S)-t…

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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)	3.43	7.55	-12.94	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49341313

Analogs

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Popular Name: (2S)-N-(4-iodophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2S)-N-(4-iodophenyl)-2-[[(2R)-t…

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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)	3.43	7.54	-13.04	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

49341314

Analogs

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Popular Name: (2R)-N-(4-iodophenyl)-2-[[(2R)-tetrahydropyran-2-yl]methoxy]propanamide (2R)-N-(4-iodophenyl)-2-[[(2R)-t…

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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)	3.43	7.55	-12.3	1	4	0	48	389.233	5	↓ MOL2 SDF SMILES Flexibase

37274983

Analogs

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Popular Name: N-(4-aminophenyl)-N-methyl-2-[[(2S)-tetrahydropyran-2-yl]methoxy]acetamide N-(4-aminophenyl)-N-methyl-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)	1.30	5.46	-15.18	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

37274986

Analogs

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Popular Name: N-(4-aminophenyl)-N-methyl-2-[[(2R)-tetrahydropyran-2-yl]methoxy]acetamide N-(4-aminophenyl)-N-methyl-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)	1.30	5.46	-15.13	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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