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19455747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-3-(4-fluorophenyl)-1-methyl-propyl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[(1S)-3-(4-fluorophenyl)-1-met…

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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)	3.82	10.35	-17.29	1	5	0	66	388.483	6	↓ MOL2 SDF SMILES Flexibase

19455749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-3-(4-fluorophenyl)-1-methyl-propyl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[(1R)-3-(4-fluorophenyl)-1-met…

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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)	3.82	10.33	-17.2	1	5	0	66	388.483	6	↓ MOL2 SDF SMILES Flexibase

54644990

Analogs

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Popular Name: N-tert-butyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-tert-butyl-2-[(1S,5R)-1,8,8-tr…

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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)	2.19	5.83	-13.44	1	5	0	66	294.395	3	↓ MOL2 SDF SMILES Flexibase

54644992

Analogs

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Popular Name: N-tert-butyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-tert-butyl-2-[(1R,5S)-1,8,8-tr…

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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)	2.19	5.54	-12.03	1	5	0	66	294.395	3	↓ MOL2 SDF SMILES Flexibase

54644994

Analogs

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Popular Name: N-isobutyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-isobutyl-2-[(1S,5R)-5,8,8-trim…

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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)	2.12	6.23	-13.79	1	5	0	66	294.395	4	↓ MOL2 SDF SMILES Flexibase

54644996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-isobutyl-2-[(1R,5S)-5,8,8-trim…

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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)	2.12	5.92	-12.51	1	5	0	66	294.395	4	↓ MOL2 SDF SMILES Flexibase

54644998

Analogs

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Popular Name: N-pentyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-pentyl-2-[(1S,5R)-5,8,8-trimet…

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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)	2.94	7.04	-13.94	1	5	0	66	308.422	6	↓ MOL2 SDF SMILES Flexibase

54645000

Analogs

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Popular Name: N-pentyl-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-pentyl-2-[(1R,5S)-5,8,8-trimet…

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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)	2.94	6.72	-12.66	1	5	0	66	308.422	6	↓ MOL2 SDF SMILES Flexibase

54645002

Analogs

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Popular Name: N-allyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-allyl-2-[(1S,5R)-1,8,8-trimeth…

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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)	1.64	5.08	-13.98	1	5	0	66	278.352	4	↓ MOL2 SDF SMILES Flexibase

54645003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-allyl-2-[(1R,5S)-1,8,8-trimeth…

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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)	1.64	4.8	-12.68	1	5	0	66	278.352	4	↓ MOL2 SDF SMILES Flexibase

54645005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-cyclohexyl-2-[(1S,5R)-1,8,8-tr…

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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)	2.90	7.22	-14.31	1	5	0	66	320.433	3	↓ MOL2 SDF SMILES Flexibase

54645007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-cyclohexyl-2-[(1R,5S)-1,8,8-tr…

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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)	2.90	6.94	-12.9	1	5	0	66	320.433	3	↓ MOL2 SDF SMILES Flexibase

54645009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-hexyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-hexyl-2-[(1S,5R)-5,8,8-trimeth…

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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)	3.45	7.82	-13.93	1	5	0	66	322.449	7	↓ MOL2 SDF SMILES Flexibase

54645010

Analogs

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Popular Name: N-hexyl-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-hexyl-2-[(1R,5S)-5,8,8-trimeth…

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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)	3.45	7.51	-12.58	1	5	0	66	322.449	7	↓ MOL2 SDF SMILES Flexibase

54645012

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2-methoxyethyl)-2-[(1S,5R)-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)	0.98	3.6	-14.9	1	6	0	76	296.367	5	↓ MOL2 SDF SMILES Flexibase

54645014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2-methoxyethyl)-2-[(1R,5S)-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)	0.98	3.32	-13.6	1	6	0	76	296.367	5	↓ MOL2 SDF SMILES Flexibase

54645016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-ethylhexyl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-[(2R)-2-ethylhexyl]-2-[(1S,5R)…

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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)	4.19	8.95	-13.65	1	5	0	66	350.503	8	↓ MOL2 SDF SMILES Flexibase

54645018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-ethylhexyl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-[(2S)-2-ethylhexyl]-2-[(1S,5R)…

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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)	4.19	9.08	-13.56	1	5	0	66	350.503	8	↓ MOL2 SDF SMILES Flexibase

54645020

Analogs

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Popular Name: N-cyclododecyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-cyclododecyl-2-[(1S,5R)-1,8,8-…

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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)	5.94	11.25	-13.62	1	5	0	66	404.595	3	↓ MOL2 SDF SMILES Flexibase

54645021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-cyclododecyl-2-[(1R,5S)-1,8,8-…

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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)	5.94	10.96	-12.24	1	5	0	66	404.595	3	↓ MOL2 SDF SMILES Flexibase

54645023

Analogs

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Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan- N-[[(2S)-tetrahydrofuran-2-yl]me…

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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)	1.37	4.82	-14.88	1	6	0	76	322.405	4	↓ MOL2 SDF SMILES Flexibase

54645025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan- N-[[(2S)-tetrahydrofuran-2-yl]me…

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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)	1.37	4.54	-13.55	1	6	0	76	322.405	4	↓ MOL2 SDF SMILES Flexibase

54645027

Analogs

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Popular Name: LS-22488 LS-22488

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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)	2.40	6.7	-14.17	1	5	0	66	306.406	3	↓ MOL2 SDF SMILES Flexibase

54645028

Analogs

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Popular Name: LS-22488 LS-22488

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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)	2.40	6.41	-12.7	1	5	0	66	306.406	3	↓ MOL2 SDF SMILES Flexibase

54645030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-cycloheptyl-2-[(1S,5R)-1,8,8-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)	3.41	7.6	-13.97	1	5	0	66	334.46	3	↓ MOL2 SDF SMILES Flexibase

54645032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-cycloheptyl-2-[(1R,5S)-1,8,8-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)	3.41	7.32	-12.6	1	5	0	66	334.46	3	↓ MOL2 SDF SMILES Flexibase

54645033

Analogs

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Popular Name: LS-22503 LS-22503

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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)	2.56	7.43	-15.13	1	5	0	66	314.385	3	↓ MOL2 SDF SMILES Flexibase

54645035

Analogs

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Popular Name: LS-22503 LS-22503

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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)	2.56	7.14	-13.88	1	5	0	66	314.385	3	↓ MOL2 SDF SMILES Flexibase

54645037

Analogs

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Popular Name: N-(o-tolyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(o-tolyl)-2-[(1S,5R)-5,8,8-tri…

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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)	2.96	8.51	-15.09	1	5	0	66	328.412	3	↓ MOL2 SDF SMILES Flexibase

54645038

Analogs

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Popular Name: N-(o-tolyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(o-tolyl)-2-[(1R,5S)-5,8,8-tri…

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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)	2.96	8.21	-13.68	1	5	0	66	328.412	3	↓ MOL2 SDF SMILES Flexibase

54645040

Analogs

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Popular Name: N-(m-tolyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(m-tolyl)-2-[(1S,5R)-5,8,8-tri…

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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)	2.99	8.29	-15.1	1	5	0	66	328.412	3	↓ MOL2 SDF SMILES Flexibase

54645042

Analogs

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Popular Name: N-(m-tolyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(m-tolyl)-2-[(1R,5S)-5,8,8-tri…

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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)	2.99	7.98	-13.72	1	5	0	66	328.412	3	↓ MOL2 SDF SMILES Flexibase

54645044

Analogs

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Popular Name: N-(p-tolyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(p-tolyl)-2-[(1S,5R)-5,8,8-tri…

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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)	3.01	8.29	-15.23	1	5	0	66	328.412	3	↓ MOL2 SDF SMILES Flexibase

54645046

Analogs

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Popular Name: N-(p-tolyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(p-tolyl)-2-[(1R,5S)-5,8,8-tri…

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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)	3.01	7.98	-13.79	1	5	0	66	328.412	3	↓ MOL2 SDF SMILES Flexibase

54645048

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,3-dimethylphenyl)-2-[(1S,5R…

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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)	3.36	9.02	-15.25	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,3-dimethylphenyl)-2-[(1R,5S…

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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)	3.36	8.71	-13.84	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645052

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,4-dimethylphenyl)-2-[(1S,5R…

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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)	3.39	9.18	-15.18	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,4-dimethylphenyl)-2-[(1R,5S…

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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)	3.39	8.87	-13.81	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,5-dimethylphenyl)-2-[(1S,5R…

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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)	3.39	9.13	-15.24	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,5-dimethylphenyl)-2-[(1R,5S…

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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)	3.39	8.82	-13.92	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645060

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,6-dimethylphenyl)-2-[(1S,5R…

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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)	2.43	9.47	-14.71	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645062

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2,6-dimethylphenyl)-2-[(1R,5S…

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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)	2.43	9.16	-13.39	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645063

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(3,4-dimethylphenyl)-2-[(1S,5R…

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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)	3.39	8.84	-15.42	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(3,4-dimethylphenyl)-2-[(1R,5S…

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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)	3.39	8.53	-14.07	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645067

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(3,5-dimethylphenyl)-2-[(1S,5R…

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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)	3.39	8.95	-15.45	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(3,5-dimethylphenyl)-2-[(1R,5S…

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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)	3.39	8.64	-13.93	1	5	0	66	342.439	3	↓ MOL2 SDF SMILES Flexibase

54645070

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2-ethylphenyl)-2-[(1S,5R)-5,8…

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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	9.29	-14.61	1	5	0	66	342.439	4	↓ MOL2 SDF SMILES Flexibase

54645072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(2-ethylphenyl)-2-[(1R,5S)-5,8…

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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	8.98	-13.26	1	5	0	66	342.439	4	↓ MOL2 SDF SMILES Flexibase

54645074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(4-ethylphenyl)-2-[(1S,5R)-5,8…

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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)	3.48	9.05	-15	1	5	0	66	342.439	4	↓ MOL2 SDF SMILES Flexibase

54645076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamide N-(4-ethylphenyl)-2-[(1R,5S)-5,8…

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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)	3.48	8.74	-13.65	1	5	0	66	342.439	4	↓ MOL2 SDF SMILES Flexibase

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