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ZINC Item

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70330766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-fluoro-phenol 4-[[(4R)-1,1-dioxo-3,4-dihydro-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)	2.64	1.78	-16.56	2	4	0	66	307.346	2	↓ MOL2 SDF SMILES Flexibase

70330768

Analogs

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Popular Name: 4-[[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-fluoro-phenol 4-[[(4S)-1,1-dioxo-3,4-dihydro-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)	2.64	1.77	-16.37	2	4	0	66	307.346	2	↓ MOL2 SDF SMILES Flexibase

37184675

Analogs

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Popular Name: (4R)-N-(5-chloro-2-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(5-chloro-2-methyl-phenyl…

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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	5.82	-13.31	1	3	0	46	321.829	2	↓ MOL2 SDF SMILES Flexibase

37184676

Analogs

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Popular Name: (4S)-N-(5-chloro-2-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(5-chloro-2-methyl-phenyl…

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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	5.82	-13.29	1	3	0	46	321.829	2	↓ MOL2 SDF SMILES Flexibase

37185129

Analogs

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Popular Name: (4R)-N-(3-ethynylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3-ethynylphenyl)-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)	2.51	5.71	-14.88	1	3	0	46	297.379	2	↓ MOL2 SDF SMILES Flexibase

37185130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-ethynylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3-ethynylphenyl)-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)	2.51	5.71	-14.9	1	3	0	46	297.379	2	↓ MOL2 SDF SMILES Flexibase

37185322

Analogs

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Popular Name: (4R)-N-(m-tolyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(m-tolyl)-1,1-dioxo-3,4-d…

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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)	3.19	5.18	-12.79	1	3	0	46	287.384	2	↓ MOL2 SDF SMILES Flexibase

37185323

Analogs

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Popular Name: (4S)-N-(m-tolyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(m-tolyl)-1,1-dioxo-3,4-d…

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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)	3.19	5.18	-12.78	1	3	0	46	287.384	2	↓ MOL2 SDF SMILES Flexibase

37186041

Analogs

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Popular Name: (4R)-1,1-dioxo-N-phenyl-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-phenyl-3,4-dihy…

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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)	2.77	4.52	-12.74	1	3	0	46	273.357	2	↓ MOL2 SDF SMILES Flexibase

37186042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1,1-dioxo-N-phenyl-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-phenyl-3,4-dihy…

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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)	2.77	4.52	-12.75	1	3	0	46	273.357	2	↓ MOL2 SDF SMILES Flexibase

37188111

Analogs

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Popular Name: (4R)-N-(2,5-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(2,5-dichlorophenyl)-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)	4.05	5.69	-12.5	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37188112

Analogs

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Popular Name: (4S)-N-(2,5-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(2,5-dichlorophenyl)-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)	4.05	5.68	-12.49	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37188282

Analogs

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Popular Name: (4R)-N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3-methylsulfanylphenyl)-…

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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)	3.18	5.54	-13.98	1	3	0	46	319.451	3	↓ MOL2 SDF SMILES Flexibase

37188283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3-methylsulfanylphenyl)-…

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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)	3.18	5.54	-13.99	1	3	0	46	319.451	3	↓ MOL2 SDF SMILES Flexibase

37188467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(3-chloro-4-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3-chloro-4-methyl-phenyl…

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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	5.61	-13.53	1	3	0	46	321.829	2	↓ MOL2 SDF SMILES Flexibase

37188468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-chloro-4-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3-chloro-4-methyl-phenyl…

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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	5.61	-13.52	1	3	0	46	321.829	2	↓ MOL2 SDF SMILES Flexibase

37188950

Analogs

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Popular Name: (4R)-N-(2-bromo-4-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(2-bromo-4-methyl-phenyl)…

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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)	3.96	5.9	-12.83	1	3	0	46	366.28	2	↓ MOL2 SDF SMILES Flexibase

37188951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-bromo-4-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(2-bromo-4-methyl-phenyl)…

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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)	3.96	5.9	-12.82	1	3	0	46	366.28	2	↓ MOL2 SDF SMILES Flexibase

37189154

Analogs

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Popular Name: (4R)-N-(2-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(2-methoxyphenyl)-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)	2.78	3.93	-13.43	1	4	0	55	303.383	3	↓ MOL2 SDF SMILES Flexibase

37189155

Analogs

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Popular Name: (4S)-N-(2-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(2-methoxyphenyl)-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)	2.78	3.93	-13.45	1	4	0	55	303.383	3	↓ MOL2 SDF SMILES Flexibase

37196625

Analogs

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Popular Name: (4R)-N-(3-chloro-2-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3-chloro-2-methyl-phenyl…

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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)	3.80	5.74	-13.54	1	3	0	46	321.829	2	↓ MOL2 SDF SMILES Flexibase

37196626

Analogs

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Popular Name: (4S)-N-(3-chloro-2-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3-chloro-2-methyl-phenyl…

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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)	3.80	5.74	-13.52	1	3	0	46	321.829	2	↓ MOL2 SDF SMILES Flexibase

37196803

Analogs

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Popular Name: (4R)-N-(2,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(2,4-dichlorophenyl)-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)	4.05	5.68	-13.16	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37196804

Analogs

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Popular Name: (4S)-N-(2,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(2,4-dichlorophenyl)-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)	4.05	5.67	-13.19	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37196970

Analogs

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Popular Name: (4R)-N-(4-bromo-2-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(4-bromo-2-methyl-phenyl)…

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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)	3.96	5.92	-13.53	1	3	0	46	366.28	2	↓ MOL2 SDF SMILES Flexibase

37196971

Analogs

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Popular Name: (4S)-N-(4-bromo-2-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(4-bromo-2-methyl-phenyl)…

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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)	3.96	5.92	-13.49	1	3	0	46	366.28	2	↓ MOL2 SDF SMILES Flexibase

37197579

Analogs

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Popular Name: (4R)-N-(4-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(4-methylsulfanylphenyl)-…

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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)	3.20	5.54	-14.16	1	3	0	46	319.451	3	↓ MOL2 SDF SMILES Flexibase

37197580

Analogs

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Popular Name: (4S)-N-(4-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(4-methylsulfanylphenyl)-…

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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)	3.20	5.54	-14.15	1	3	0	46	319.451	3	↓ MOL2 SDF SMILES Flexibase

37198354

Analogs

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Popular Name: (4R)-N-(2,5-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(2,5-difluorophenyl)-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)	3.03	4.73	-13.31	1	3	0	46	309.337	2	↓ MOL2 SDF SMILES Flexibase

37198355

Analogs

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Popular Name: (4S)-N-(2,5-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(2,5-difluorophenyl)-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)	3.03	4.72	-13.28	1	3	0	46	309.337	2	↓ MOL2 SDF SMILES Flexibase

37198548

Analogs

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Popular Name: (4R)-N-(4-bromo-2-fluoro-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(4-bromo-2-fluoro-phenyl)…

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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)	3.67	5.29	-13.63	1	3	0	46	370.243	2	↓ MOL2 SDF SMILES Flexibase

37198549

Analogs

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Popular Name: (4S)-N-(4-bromo-2-fluoro-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(4-bromo-2-fluoro-phenyl)…

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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)	3.67	5.28	-13.64	1	3	0	46	370.243	2	↓ MOL2 SDF SMILES Flexibase

37198748

Analogs

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Popular Name: (4R)-N-(4-bromo-3-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(4-bromo-3-methyl-phenyl)…

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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)	3.96	5.7	-13.6	1	3	0	46	366.28	2	↓ MOL2 SDF SMILES Flexibase

37198749

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Popular Name: (4S)-N-(4-bromo-3-methyl-phenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(4-bromo-3-methyl-phenyl)…

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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)	3.96	5.7	-13.61	1	3	0	46	366.28	2	↓ MOL2 SDF SMILES Flexibase

37199553

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Popular Name: (4R)-N-(3,5-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3,5-dichlorophenyl)-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)	4.05	5.6	-13.27	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37199554

Analogs

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Popular Name: (4S)-N-(3,5-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3,5-dichlorophenyl)-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)	4.05	5.59	-13.26	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37200368

Analogs

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Popular Name: (4R)-N-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3,4-dichlorophenyl)-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)	4.05	5.55	-14.59	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37200369

Analogs

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Popular Name: (4S)-N-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3,4-dichlorophenyl)-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)	4.05	5.54	-14.54	1	3	0	46	342.247	2	↓ MOL2 SDF SMILES Flexibase

37201644

Analogs

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Popular Name: (4R)-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3,4-difluorophenyl)-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)	3.03	4.69	-16.34	1	3	0	46	309.337	2	↓ MOL2 SDF SMILES Flexibase

37201645

Analogs

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Popular Name: (4S)-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3,4-difluorophenyl)-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)	3.03	4.68	-16.32	1	3	0	46	309.337	2	↓ MOL2 SDF SMILES Flexibase

37202264

Analogs

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Popular Name: (4R)-N-(3,4-dimethylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3,4-dimethylphenyl)-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)	3.60	5.74	-12.82	1	3	0	46	301.411	2	↓ MOL2 SDF SMILES Flexibase

37202265

Analogs

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Popular Name: (4S)-N-(3,4-dimethylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3,4-dimethylphenyl)-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)	3.60	5.74	-12.8	1	3	0	46	301.411	2	↓ MOL2 SDF SMILES Flexibase

37202444

Analogs

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Popular Name: (4R)-N-(3-chlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3-chlorophenyl)-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)	3.42	5.09	-13.39	1	3	0	46	307.802	2	↓ MOL2 SDF SMILES Flexibase

37202445

Analogs

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Popular Name: (4S)-N-(3-chlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3-chlorophenyl)-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)	3.42	5.08	-13.39	1	3	0	46	307.802	2	↓ MOL2 SDF SMILES Flexibase

37202622

Analogs

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Popular Name: (4R)-N-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(3-fluorophenyl)-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)	2.91	4.64	-14.08	1	3	0	46	291.347	2	↓ MOL2 SDF SMILES Flexibase

37202623

Analogs

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Popular Name: (4S)-N-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(3-fluorophenyl)-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)	2.91	4.63	-14.06	1	3	0	46	291.347	2	↓ MOL2 SDF SMILES Flexibase

37202805

Analogs

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Popular Name: (4R)-N-(4-chlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-(4-chlorophenyl)-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)	3.45	5.09	-13.55	1	3	0	46	307.802	2	↓ MOL2 SDF SMILES Flexibase

37202806

Analogs

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Popular Name: (4S)-N-(4-chlorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-(4-chlorophenyl)-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)	3.45	5.08	-13.54	1	3	0	46	307.802	2	↓ MOL2 SDF SMILES Flexibase

37202984

Analogs

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Popular Name: 2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]benzonitrile 2-[[(4R)-1,1-dioxo-3,4-dihydro-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)	2.48	4.92	-16.52	1	4	0	70	298.367	2	↓ MOL2 SDF SMILES Flexibase

37202985

Analogs

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Popular Name: 2-[[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]benzonitrile 2-[[(4S)-1,1-dioxo-3,4-dihydro-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)	2.48	4.92	-16.54	1	4	0	70	298.367	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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