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ZINC Item

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11990930

Analogs

11990931

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-4-methyl-benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.76	-4.06	-54.26	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

11990931

Analogs

11990930

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-4-methyl-benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.76	-4.08	-53.94	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

11990934

Analogs

11990935
4393175
4393176

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-(2,4-dichlorophenyl)-2-[(3R)-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)	2.57	-4.52	-15.54	1	4	0	63	322.213	3	↓ MOL2 SDF SMILES Flexibase

11990935

Analogs

4393175
4393176

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-(2,4-dichlorophenyl)-2-[(3S)-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)	2.57	-4.51	-15.59	1	4	0	63	322.213	3	↓ MOL2 SDF SMILES Flexibase

20893818

Analogs

20893815

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-3-nitro-phenyl)acetamide 2-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	1.62	4.18	-19.34	1	7	0	109	312.347	4	↓ MOL2 SDF SMILES Flexibase

36870641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.33	3.73	-50.93	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36870642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.33	3.7	-51.22	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36870643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-2-hydroxy-benzoic 5-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.20	1.41	-61.08	2	7	-1	124	312.323	4	↓ MOL2 SDF SMILES Flexibase

36870644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-2-hydroxy-benzoic 5-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.20	1.41	-60.12	2	7	-1	124	312.323	4	↓ MOL2 SDF SMILES Flexibase

36870645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 4-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.20	3.37	-64.58	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36870646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 4-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.20	3.36	-63.47	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36870669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 4-chloro-2-[[2-[(3R)-1,1-dioxoth…

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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)	1.99	4.3	-46.7	1	6	-1	103	330.769	4	↓ MOL2 SDF SMILES Flexibase

36870670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 4-chloro-2-[[2-[(3S)-1,1-dioxoth…

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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)	1.99	4.23	-47.26	1	6	-1	103	330.769	4	↓ MOL2 SDF SMILES Flexibase

36870687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-methyl-amino]benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	0.91	5.72	-60.7	0	6	-1	95	310.351	4	↓ MOL2 SDF SMILES Flexibase

36870688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-methyl-amino]benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	0.91	5.71	-61.14	0	6	-1	95	310.351	4	↓ MOL2 SDF SMILES Flexibase

36870721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 5-chloro-2-[[2-[(3R)-1,1-dioxoth…

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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)	1.99	4.23	-47.43	1	6	-1	103	330.769	4	↓ MOL2 SDF SMILES Flexibase

36870722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 5-chloro-2-[[2-[(3S)-1,1-dioxoth…

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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)	1.99	4.21	-47.75	1	6	-1	103	330.769	4	↓ MOL2 SDF SMILES Flexibase

36870723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-2-hydroxy-benzoic 4-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.20	1.45	-65.75	2	7	-1	124	312.323	4	↓ MOL2 SDF SMILES Flexibase

36870724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-2-hydroxy-benzoic 4-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.20	1.43	-65.01	2	7	-1	124	312.323	4	↓ MOL2 SDF SMILES Flexibase

36870725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-3-methyl-benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	0.80	4.5	-54	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

36870726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-3-methyl-benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	0.80	4.48	-54.63	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

36870731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]phenyl]acetic 2-[4-[[2-[(3R)-1,1-dioxothiolan-…

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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)	0.71	4.16	-59.93	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

36870732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]phenyl]acetic 2-[4-[[2-[(3S)-1,1-dioxothiolan-…

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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)	0.71	4.14	-58.79	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

36870733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-4-fluoro-benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.47	3.85	-46.36	1	6	-1	103	314.314	4	↓ MOL2 SDF SMILES Flexibase

36870734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-4-fluoro-benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.47	3.78	-46.94	1	6	-1	103	314.314	4	↓ MOL2 SDF SMILES Flexibase

36870745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 4-chloro-3-[[2-[(3R)-1,1-dioxoth…

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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)	1.81	4.02	-63.85	1	6	-1	103	330.769	4	↓ MOL2 SDF SMILES Flexibase

36870746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic 4-chloro-3-[[2-[(3S)-1,1-dioxoth…

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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)	1.81	3.99	-62.13	1	6	-1	103	330.769	4	↓ MOL2 SDF SMILES Flexibase

36870749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-5-methyl-benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.76	4.39	-51.49	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

36870750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-5-methyl-benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.76	4.37	-51.77	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

36870755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-5-fluoro-benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	1.47	3.78	-47.5	1	6	-1	103	314.314	4	↓ MOL2 SDF SMILES Flexibase

36870756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-5-fluoro-benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	1.47	3.77	-47.87	1	6	-1	103	314.314	4	↓ MOL2 SDF SMILES Flexibase

36870775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-6-fluoro-benzoic 2-[[2-[(3R)-1,1-dioxothiolan-3-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)	0.93	3.76	-53.45	1	6	-1	103	314.314	4	↓ MOL2 SDF SMILES Flexibase

36870776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-6-fluoro-benzoic 2-[[2-[(3S)-1,1-dioxothiolan-3-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)	0.93	3.73	-53.83	1	6	-1	103	314.314	4	↓ MOL2 SDF SMILES Flexibase

36870805

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-(2-bromo-4-fluoro-phenyl)-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)	2.19	3.65	-15.85	1	4	0	63	350.209	3	↓ MOL2 SDF SMILES Flexibase

36870806

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-(2-bromo-4-fluoro-phenyl)-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)	2.19	3.64	-15.23	1	4	0	63	350.209	3	↓ MOL2 SDF SMILES Flexibase

36870809

Analogs

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-hydroxyphenyl)-N-methyl-acetamide 2-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	0.39	1.69	-20.05	1	5	0	75	283.349	3	↓ MOL2 SDF SMILES Flexibase

36870810

Analogs

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Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-hydroxyphenyl)-N-methyl-acetamide 2-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	0.39	1.69	-19.03	1	5	0	75	283.349	3	↓ MOL2 SDF SMILES Flexibase

36870811

Analogs

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-hydroxyphenyl)acetamide 2-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	0.81	-0.05	-19.84	2	5	0	83	269.322	3	↓ MOL2 SDF SMILES Flexibase

36870812

Analogs

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Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-hydroxyphenyl)acetamide 2-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	0.81	-0.06	-19.03	2	5	0	83	269.322	3	↓ MOL2 SDF SMILES Flexibase

36870813

Analogs

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(5-hydroxy-2-methyl-phenyl)acetamide 2-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	1.14	3.37	-19.14	1	5	0	75	311.403	4	↓ MOL2 SDF SMILES Flexibase

36870814

Analogs

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Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-(5-hydroxy-2-methyl-phenyl)acetamide 2-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	1.14	3.37	-18.23	1	5	0	75	311.403	4	↓ MOL2 SDF SMILES Flexibase

36870857

Analogs

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Popular Name: N-(3-amino-4-methoxy-phenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-(3-amino-4-methoxy-phenyl)-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)	0.76	0.1	-19.35	3	6	0	98	298.364	4	↓ MOL2 SDF SMILES Flexibase

36870858

Analogs

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Popular Name: N-(3-amino-4-methoxy-phenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-(3-amino-4-methoxy-phenyl)-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)	0.76	0.09	-18.57	3	6	0	98	298.364	4	↓ MOL2 SDF SMILES Flexibase

36870859

Analogs

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Popular Name: N-(2-aminophenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-(2-aminophenyl)-2-[(3R)-1,1-di…

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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)	0.72	0.99	-18.66	3	5	0	89	268.338	3	↓ MOL2 SDF SMILES Flexibase

36870860

Analogs

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Popular Name: N-(2-aminophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-(2-aminophenyl)-2-[(3S)-1,1-di…

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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)	0.72	0.99	-17.68	3	5	0	89	268.338	3	↓ MOL2 SDF SMILES Flexibase

36870861

Analogs

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Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-(5-amino-2-fluoro-phenyl)-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)	0.46	0.79	-17.01	3	5	0	89	286.328	3	↓ MOL2 SDF SMILES Flexibase

36870862

Analogs

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Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-(5-amino-2-fluoro-phenyl)-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)	0.46	0.81	-16.43	3	5	0	89	286.328	3	↓ MOL2 SDF SMILES Flexibase

36870865

Analogs

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(methylaminomethyl)phenyl]acetamide 2-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	0.80	2.93	-61.29	3	5	1	80	297.4	5	↓ MOL2 SDF SMILES Flexibase

36870866

Analogs

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Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-(methylaminomethyl)phenyl]acetamide 2-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	0.80	2.93	-60.62	3	5	1	80	297.4	5	↓ MOL2 SDF SMILES Flexibase

36870867

Analogs

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Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[3-(ethylaminomethyl)phenyl]acetamide 2-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	1.20	3.58	-58.31	3	5	1	80	311.427	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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