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ZINC Item

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22357944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[[2-(2-hydroxyethylamino)-5-ni…

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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)	0.48	-1.54	-21.2	4	10	0	153	386.43	8	↓ MOL2 SDF SMILES Flexibase

22357946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[[2-(2-hydroxyethylamino)-5-ni…

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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)	0.48	-1.58	-25.76	4	10	0	153	386.43	8	↓ MOL2 SDF SMILES Flexibase

57739367

Analogs

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Popular Name: (2R)-2-(4-chloro-2-methoxy-5-methyl-anilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(4-chloro-2-methoxy-5-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)	3.08	4.3	-18.41	1	6	0	76	388.917	6	↓ MOL2 SDF SMILES Flexibase

57739373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chloro-2-methoxy-5-methyl-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(4-chloro-2-methoxy-5-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)	3.08	4.29	-20.33	1	6	0	76	388.917	6	↓ MOL2 SDF SMILES Flexibase

57739378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(4-chloro-2-methoxy-5-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)	3.08	4.37	-18.11	1	6	0	76	388.917	6	↓ MOL2 SDF SMILES Flexibase

57739384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(4-chloro-2-methoxy-5-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)	3.08	4.36	-20.44	1	6	0	76	388.917	6	↓ MOL2 SDF SMILES Flexibase

57919505

Analogs

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

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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)	1.32	2.9	-19.24	1	5	0	66	316.81	4	↓ MOL2 SDF SMILES Flexibase

57919507

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.32	2.91	-17.83	1	5	0	66	316.81	4	↓ MOL2 SDF SMILES Flexibase

58310023

Analogs

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Popular Name: (2R)-2-(4-tert-butylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(4-tert-butylanilino)-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)	3.75	6.12	-15.9	1	5	0	66	366.527	6	↓ MOL2 SDF SMILES Flexibase

58310027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-tert-butylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(4-tert-butylanilino)-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)	3.75	6.11	-17.75	1	5	0	66	366.527	6	↓ MOL2 SDF SMILES Flexibase

58310030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-tert-butylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(4-tert-butylanilino)-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)	3.75	6.18	-15.68	1	5	0	66	366.527	6	↓ MOL2 SDF SMILES Flexibase

58310035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-tert-butylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(4-tert-butylanilino)-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)	3.75	6.18	-17.89	1	5	0	66	366.527	6	↓ MOL2 SDF SMILES Flexibase

58310732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-methoxy-5-methyl-anilino)propanamide (2R)-N-[(3R)-1,1-dioxothiolan-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)	2.47	3.87	-18.58	1	6	0	76	354.472	6	↓ MOL2 SDF SMILES Flexibase

58310735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-methoxy-5-methyl-anilino)propanamide (2R)-N-[(3S)-1,1-dioxothiolan-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)	2.47	3.86	-20.55	1	6	0	76	354.472	6	↓ MOL2 SDF SMILES Flexibase

58310738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-methoxy-5-methyl-anilino)propanamide (2S)-N-[(3R)-1,1-dioxothiolan-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)	2.47	3.94	-18.2	1	6	0	76	354.472	6	↓ MOL2 SDF SMILES Flexibase

58310742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-methoxy-5-methyl-anilino)propanamide (2S)-N-[(3S)-1,1-dioxothiolan-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)	2.47	3.93	-20.67	1	6	0	76	354.472	6	↓ MOL2 SDF SMILES Flexibase

58311225

Analogs

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Popular Name: (2R)-2-(2,4-dimethoxyanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(2,4-dimethoxyanilino)-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)	2.08	2.5	-19.87	1	7	0	85	370.471	7	↓ MOL2 SDF SMILES Flexibase

58311229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,4-dimethoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(2,4-dimethoxyanilino)-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)	2.08	2.49	-21.93	1	7	0	85	370.471	7	↓ MOL2 SDF SMILES Flexibase

58311232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,4-dimethoxyanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(2,4-dimethoxyanilino)-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)	2.08	2.57	-19.57	1	7	0	85	370.471	7	↓ MOL2 SDF SMILES Flexibase

58311236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,4-dimethoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(2,4-dimethoxyanilino)-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)	2.08	2.56	-21.93	1	7	0	85	370.471	7	↓ MOL2 SDF SMILES Flexibase

58311240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-chloro-2,4-dimethoxy-anilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2S)-2-(5-chloro-2,4-dimethoxy-a…

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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)	2.31	2.08	-20.64	1	7	0	85	390.889	6	↓ MOL2 SDF SMILES Flexibase

58311244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-chloro-2,4-dimethoxy-anilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2R)-2-(5-chloro-2,4-dimethoxy-a…

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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)	2.31	2.14	-19.93	1	7	0	85	390.889	6	↓ MOL2 SDF SMILES Flexibase

58311246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-chloro-2,4-dimethoxy-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2S)-2-(5-chloro-2,4-dimethoxy-a…

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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)	2.31	2.1	-19.29	1	7	0	85	390.889	6	↓ MOL2 SDF SMILES Flexibase

58311251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-chloro-2,4-dimethoxy-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide (2R)-2-(5-chloro-2,4-dimethoxy-a…

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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)	2.31	2.09	-19.67	1	7	0	85	390.889	6	↓ MOL2 SDF SMILES Flexibase

58311392

Analogs

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Popular Name: (2R)-2-(2,5-diethoxyanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(2,5-diethoxyanilino)-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)	2.83	4.34	-18.14	1	7	0	85	398.525	9	↓ MOL2 SDF SMILES Flexibase

58311397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,5-diethoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2R)-2-(2,5-diethoxyanilino)-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)	2.83	4.33	-19.98	1	7	0	85	398.525	9	↓ MOL2 SDF SMILES Flexibase

58311401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,5-diethoxyanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(2,5-diethoxyanilino)-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)	2.83	4.41	-17.89	1	7	0	85	398.525	9	↓ MOL2 SDF SMILES Flexibase

58311407

Analogs

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Popular Name: (2S)-2-(2,5-diethoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-propanamide (2S)-2-(2,5-diethoxyanilino)-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)	2.83	4.4	-20.29	1	7	0	85	398.525	9	↓ MOL2 SDF SMILES Flexibase

58329951

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(N-isopropyl-4-methyl-anilino)acetamide N-[(3R)-1,1-dioxothiolan-3-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)	2.29	4.5	-17.7	1	5	0	66	324.446	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.29	4.56	-69.63	2	5	0	68	325.454	5	↓ MOL2 SDF SMILES Flexibase

58329953

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(N-isopropyl-4-methyl-anilino)acetamide N-[(3S)-1,1-dioxothiolan-3-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)	2.29	4.51	-17	1	5	0	66	324.446	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.29	4.57	-68.84	2	5	0	68	325.454	5	↓ MOL2 SDF SMILES Flexibase

58333167

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(N-[(2S)-2-hydroxybutyl]anilino)acetamide N-[(3R)-1,1-dioxothiolan-3-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)	1.40	2.09	-19.6	2	6	0	87	340.445	7	↓ MOL2 SDF SMILES Flexibase

58333168

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide N-[(3R)-1,1-dioxothiolan-3-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)	1.40	1.96	-19.64	2	6	0	87	340.445	7	↓ MOL2 SDF SMILES Flexibase

58338215

Analogs

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Popular Name: 2-(2-bromo-4-methyl-anilino)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-(2-bromo-4-methyl-anilino)-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)	2.11	2.06	-18.97	2	5	0	75	361.261	4	↓ MOL2 SDF SMILES Flexibase

58338217

Analogs

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Popular Name: 2-(2-bromo-4-methyl-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-(2-bromo-4-methyl-anilino)-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)	2.11	2.07	-18.11	2	5	0	75	361.261	4	↓ MOL2 SDF SMILES Flexibase

58338374

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide N-[(3R)-1,1-dioxothiolan-3-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)	2.68	2.84	-17.97	2	6	0	85	394.415	8	↓ MOL2 SDF SMILES Flexibase

58338376

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide N-[(3S)-1,1-dioxothiolan-3-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)	2.68	2.85	-17.27	2	6	0	85	394.415	8	↓ MOL2 SDF SMILES Flexibase

58341458

Analogs

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Popular Name: 2-(2-cyano-3-fluoro-anilino)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-(2-cyano-3-fluoro-anilino)-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)	0.74	1.12	-27.16	2	6	0	99	311.338	4	↓ MOL2 SDF SMILES Flexibase

58341459

Analogs

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Popular Name: 2-(2-cyano-3-fluoro-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-(2-cyano-3-fluoro-anilino)-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)	0.74	1.13	-26	2	6	0	99	311.338	4	↓ MOL2 SDF SMILES Flexibase

60494968

Analogs

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

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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)	2.62	6.63	-18.26	0	5	0	58	352.5	5	↓ MOL2 SDF SMILES Flexibase

52395472

Analogs

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Popular Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[5-chloro-2-nitro-4-(trifluoro…

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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)	2.31	3.03	-23.36	2	8	0	121	415.777	6	↓ MOL2 SDF SMILES Flexibase

52395473

Analogs

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Popular Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[5-chloro-2-nitro-4-(trifluoro…

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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)	2.31	3.04	-22.47	2	8	0	121	415.777	6	↓ MOL2 SDF SMILES Flexibase

52443052

Analogs

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

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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)	2.60	6.76	-19	0	6	0	67	396.553	8	↓ MOL2 SDF SMILES Flexibase

52443053

Analogs

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

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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)	2.60	6.82	-19.14	0	6	0	67	396.553	8	↓ MOL2 SDF SMILES Flexibase

69484997

Analogs

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

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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)	2.52	4.33	-18.32	1	5	0	66	344.864	5	↓ MOL2 SDF SMILES Flexibase

69484998

Analogs

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

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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)	2.52	4.34	-17.22	1	5	0	66	344.864	5	↓ MOL2 SDF SMILES Flexibase

65493254

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methyl-anilino)acetamide N-[(3R)-1,1-dioxothiolan-3-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)	1.36	0.76	-18.88	2	6	0	85	312.391	5	↓ MOL2 SDF SMILES Flexibase

65493255

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methyl-anilino)acetamide N-[(3S)-1,1-dioxothiolan-3-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)	1.36	0.77	-18.13	2	6	0	85	312.391	5	↓ MOL2 SDF SMILES Flexibase

55155381

Analogs

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Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methoxy-4-methyl-anilino)-N-propyl-propanamide (2R)-N-[(3R)-1,1-dioxothiolan-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)	2.98	4.61	-18.04	1	6	0	76	368.499	7	↓ MOL2 SDF SMILES Flexibase

55155382

Analogs

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Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methoxy-4-methyl-anilino)-N-propyl-propanamide (2R)-N-[(3S)-1,1-dioxothiolan-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)	2.98	4.59	-20.03	1	6	0	76	368.499	7	↓ MOL2 SDF SMILES Flexibase

55155383

Analogs

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Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methoxy-4-methyl-anilino)-N-propyl-propanamide (2S)-N-[(3R)-1,1-dioxothiolan-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)	2.98	4.69	-17.84	1	6	0	76	368.499	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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