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ZINC Item

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69140521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2,4-difluoro-benzenesulfonamide 5-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.46	-2.45	-19.33	3	6	0	106	340.373	3	↓ MOL2 SDF SMILES Flexibase

69140523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2,4-difluoro-benzenesulfonamide 5-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.46	-1.95	-18.44	3	6	0	106	340.373	3	↓ MOL2 SDF SMILES Flexibase

69140524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-methyl-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	-1.34	-19.6	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-methyl-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	-1.27	-18.05	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-benzenesulfonamide 2-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	-1.53	-22.83	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-benzenesulfonamide 2-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	-1.52	-19.86	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-5-bromo-N-[(3R)-1,1-diox…

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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)	1.02	-0.97	-21.91	3	6	0	106	383.289	3	↓ MOL2 SDF SMILES Flexibase

69140547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-5-bromo-N-[(3S)-1,1-diox…

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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)	1.02	-0.95	-19.03	3	6	0	106	383.289	3	↓ MOL2 SDF SMILES Flexibase

69140562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(3R)-1,1-dioxothian-3-yl]-4-fluoro-benzenesulfonamide 5-amino-2-chloro-N-[(3R)-1,1-dio…

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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	-1.33	-16.98	3	6	0	106	356.828	3	↓ MOL2 SDF SMILES Flexibase

69140564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(3S)-1,1-dioxothian-3-yl]-4-fluoro-benzenesulfonamide 5-amino-2-chloro-N-[(3S)-1,1-dio…

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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	-1.43	-17.86	3	6	0	106	356.828	3	↓ MOL2 SDF SMILES Flexibase

69140570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-6-fluoro-benzenesulfonamide 2-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	-1.51	-22.3	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-6-fluoro-benzenesulfonamide 2-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	-1.4	-19.58	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-4-chloro-N-[(3R)-1,1-dio…

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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)	0.88	-1.27	-19.17	3	6	0	106	338.838	3	↓ MOL2 SDF SMILES Flexibase

69140575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-4-chloro-N-[(3S)-1,1-dio…

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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)	0.88	-1.08	-17.87	3	6	0	106	338.838	3	↓ MOL2 SDF SMILES Flexibase

69140577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-methoxy-benzenesulfonamide 5-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.14	-2.21	-19.68	3	7	0	116	334.419	4	↓ MOL2 SDF SMILES Flexibase

69140579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-methoxy-benzenesulfonamide 5-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.14	-2.25	-19.63	3	7	0	116	334.419	4	↓ MOL2 SDF SMILES Flexibase

69140582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-ethyl-benzenesulfonamide 5-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	-0.37	-20.19	3	6	0	106	332.447	4	↓ MOL2 SDF SMILES Flexibase

69140583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-ethyl-benzenesulfonamide 5-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	-0.21	-18.21	3	6	0	106	332.447	4	↓ MOL2 SDF SMILES Flexibase

69140589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-dibromo-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 4-amino-2,6-dibromo-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)	1.35	-0.68	-19.72	3	6	0	106	462.185	3	↓ MOL2 SDF SMILES Flexibase

69140590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-dibromo-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 4-amino-2,6-dibromo-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)	1.35	-0.58	-17.11	3	6	0	106	462.185	3	↓ MOL2 SDF SMILES Flexibase

69140592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dibromo-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-4,6-dibromo-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)	1.75	-0.15	-16.51	3	6	0	106	462.185	3	↓ MOL2 SDF SMILES Flexibase

69140595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dibromo-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-4,6-dibromo-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)	1.75	-0.06	-16.05	3	6	0	106	462.185	3	↓ MOL2 SDF SMILES Flexibase

69140597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.04	-2.05	-19.96	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.04	-1.98	-18.7	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-methyl-benzenesulfonamide 5-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.25	-1.1	-21.15	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-methyl-benzenesulfonamide 5-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.25	-1.11	-18.64	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140618

Analogs

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Popular Name: 4-amino-2-cyano-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 4-amino-2-cyano-N-[(3R)-1,1-diox…

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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)	-0.45	-1.83	-22.27	3	7	0	130	329.403	3	↓ MOL2 SDF SMILES Flexibase

69140620

Analogs

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Popular Name: 4-amino-2-cyano-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 4-amino-2-cyano-N-[(3S)-1,1-diox…

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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)	-0.45	-1.71	-19.78	3	7	0	130	329.403	3	↓ MOL2 SDF SMILES Flexibase

69140626

Analogs

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Popular Name: 4-amino-2-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 4-amino-2-bromo-N-[(3R)-1,1-diox…

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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)	0.61	-1.38	-19.57	3	6	0	106	383.289	3	↓ MOL2 SDF SMILES Flexibase

69140629

Analogs

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Popular Name: 4-amino-2-bromo-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 4-amino-2-bromo-N-[(3S)-1,1-diox…

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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)	0.61	-1.24	-17.81	3	6	0	106	383.289	3	↓ MOL2 SDF SMILES Flexibase

69140631

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-methyl-benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.25	-1.11	-21.38	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140633

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-methyl-benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.25	-1.11	-18.76	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-4-bromo-N-[(3R)-1,1-diox…

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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)	1.02	-1.16	-19.17	3	6	0	106	383.289	3	↓ MOL2 SDF SMILES Flexibase

69140642

Analogs

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Popular Name: 2-amino-4-bromo-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 2-amino-4-bromo-N-[(3S)-1,1-diox…

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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)	1.02	-0.98	-17.85	3	6	0	106	383.289	3	↓ MOL2 SDF SMILES Flexibase

69140652

Analogs

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Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-6-methyl-benzenesulfonamide 2-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.63	-0.75	-18.11	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140655

Analogs

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Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-6-methyl-benzenesulfonamide 2-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.63	-0.64	-17.31	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140674

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-fluoro-benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.04	-2.54	-21.3	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140676

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-fluoro-benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.04	-1.96	-18.75	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140686

Analogs

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Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.15	-2.12	-19.77	3	6	0	106	304.393	3	↓ MOL2 SDF SMILES Flexibase

69140688

Analogs

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Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.15	-2.05	-17.91	3	6	0	106	304.393	3	↓ MOL2 SDF SMILES Flexibase

69140704

Analogs

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Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-fluoro-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	-2.04	-18.98	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140705

Analogs

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Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-fluoro-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	-1.96	-17.77	3	6	0	106	322.383	3	↓ MOL2 SDF SMILES Flexibase

69140708

Analogs

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Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4,5-dimethyl-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	-0.8	-19.75	3	6	0	106	332.447	3	↓ MOL2 SDF SMILES Flexibase

69140709

Analogs

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Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4,5-dimethyl-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	-0.73	-18.18	3	6	0	106	332.447	3	↓ MOL2 SDF SMILES Flexibase

69140711

Analogs

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Popular Name: 3-amino-5-chloro-N-[(3R)-1,1-dioxothian-3-yl]-4-methyl-benzenesulfonamide 3-amino-5-chloro-N-[(3R)-1,1-dio…

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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)	1.26	-0.92	-19.65	3	6	0	106	352.865	3	↓ MOL2 SDF SMILES Flexibase

69140715

Analogs

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Popular Name: 3-amino-5-chloro-N-[(3S)-1,1-dioxothian-3-yl]-4-methyl-benzenesulfonamide 3-amino-5-chloro-N-[(3S)-1,1-dio…

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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)	1.26	-0.85	-18.25	3	6	0	106	352.865	3	↓ MOL2 SDF SMILES Flexibase

69140735

Analogs

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Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-methyl-benzenesulfonamide 2-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	-1.12	-20.04	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140737

Analogs

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Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-methyl-benzenesulfonamide 2-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	-0.94	-18.36	3	6	0	106	318.42	3	↓ MOL2 SDF SMILES Flexibase

69140743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-2,6-dimethyl-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	-0.48	-18.64	3	6	0	106	332.447	3	↓ MOL2 SDF SMILES Flexibase

69140744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-2,6-dimethyl-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothian-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	-0.42	-17.56	3	6	0	106	332.447	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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