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ZINC Item

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11999637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-phenyl-acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	1.69	-6.37	-16.5	2	7	0	94	348.38	5	↓ MOL2 SDF SMILES Flexibase

13014289

Analogs

9168317

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide (2R)-N-(4-chlorophenyl)-2-(2,3-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)	3.11	4.68	-18.49	2	7	0	94	424.906	6	↓ MOL2 SDF SMILES Flexibase

22738826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-methyl-N-phenyl-acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.46	8.77	-15.62	0	7	0	76	432.542	8	↓ MOL2 SDF SMILES Flexibase

22738833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(3-methoxyphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.62	6.33	-20.08	1	8	0	94	448.541	9	↓ MOL2 SDF SMILES Flexibase

22738841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2,6-dimethylphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	7.91	-16.74	1	7	0	85	446.569	8	↓ MOL2 SDF SMILES Flexibase

22738845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(o-tolyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.98	7.81	-17.03	1	7	0	85	432.542	8	↓ MOL2 SDF SMILES Flexibase

22738849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(4-methoxyphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.64	6.31	-18.98	1	8	0	94	448.541	9	↓ MOL2 SDF SMILES Flexibase

22738857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2-ethoxyphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.97	7.36	-15.64	1	8	0	94	462.568	10	↓ MOL2 SDF SMILES Flexibase

22738861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)acetamide N-(3-cyanophenyl)-2-(2,3-dihydro…

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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)	3.31	7.4	-22.47	1	8	0	109	443.525	8	↓ MOL2 SDF SMILES Flexibase

22738869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)acetamide N-(2,6-diethylphenyl)-2-(2,3-dih…

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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)	4.38	9.06	-14.92	1	7	0	85	474.623	10	↓ MOL2 SDF SMILES Flexibase

22738873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-phenyl-acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.58	7.01	-17	1	7	0	85	418.515	8	↓ MOL2 SDF SMILES Flexibase

22738877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(4-fluorophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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	7.07	-18.23	1	7	0	85	436.505	8	↓ MOL2 SDF SMILES Flexibase

22738885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2,3,4-trifluorophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.93	7.23	-16.76	1	7	0	85	472.485	8	↓ MOL2 SDF SMILES Flexibase

22738890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2,4-dimethylphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	4.41	8.45	-17.25	1	7	0	85	446.569	8	↓ MOL2 SDF SMILES Flexibase

22738906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2,4,6-trimethylphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.85	8.58	-16.61	1	7	0	85	460.596	8	↓ MOL2 SDF SMILES Flexibase

22738910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(3,4-dimethoxyphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.23	6.24	-21.51	1	9	0	103	478.567	10	↓ MOL2 SDF SMILES Flexibase

22738918

Analogs

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Popular Name: methyl methyl

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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)	3.89	8.02	-15.2	1	9	0	111	476.551	10	↓ MOL2 SDF SMILES Flexibase

22738921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)acetamide N-(4-cyanophenyl)-2-(2,3-dihydro…

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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)	3.34	7.39	-20.78	1	8	0	109	443.525	8	↓ MOL2 SDF SMILES Flexibase

22738929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(3-nitrophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.52	7.67	-26.29	1	10	0	131	463.512	9	↓ MOL2 SDF SMILES Flexibase

22738937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2,4-dimethoxyphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.62	5.74	-17.08	1	9	0	103	478.567	10	↓ MOL2 SDF SMILES Flexibase

22738944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(3-fluorophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.72	7.08	-19.91	1	7	0	85	436.505	8	↓ MOL2 SDF SMILES Flexibase

22738948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(5-fluoro-2-methyl-phenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	4.12	7.86	-20.03	1	7	0	85	450.532	8	↓ MOL2 SDF SMILES Flexibase

22738977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-isopentyl-amino)-N-(2-ethyl-6-methyl-phenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.91	8.84	-15.93	1	7	0	85	460.596	9	↓ MOL2 SDF SMILES Flexibase

22738999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)-N-isopropyl-N-phenyl-acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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	6.58	-15.29	0	7	0	76	404.488	6	↓ MOL2 SDF SMILES Flexibase

22739003

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetamide N-(3-chloro-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)	2.70	4.66	-20.93	1	7	0	85	414.842	5	↓ MOL2 SDF SMILES Flexibase

22739007

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)-N-(4-isopropylphenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	3.44	6.05	-17.41	1	7	0	85	404.488	6	↓ MOL2 SDF SMILES Flexibase

22739012

Analogs

16691853

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetamide N-(3-chloro-4-methyl-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)	2.98	5.26	-19.35	1	7	0	85	410.879	5	↓ MOL2 SDF SMILES Flexibase

22739020

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)-N-(2,4,6-trichlorophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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	6	-15.61	1	7	0	85	465.742	5	↓ MOL2 SDF SMILES Flexibase

22739024

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)-N-(4-iodophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	5.21	-17.68	1	7	0	85	488.303	5	↓ MOL2 SDF SMILES Flexibase

22739028

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)-N-(2,3,4-trifluorophenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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)	2.28	4.35	-16.97	1	7	0	85	416.377	5	↓ MOL2 SDF SMILES Flexibase

22739037

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)-N-(3-fluoro-4-methyl-phenyl)acetamide 2-(2,3-dihydro-1,4-benzodioxin-6…

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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	4.83	-20.74	1	7	0	85	394.424	5	↓ MOL2 SDF SMILES Flexibase

13258482

Analogs

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Popular Name: 2-[[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoyl]amino]acetic 2-[[4-[[2-(2,3-dihydro-1,4-benzo…

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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)	-0.54	2.31	-59.28	2	11	-1	154	462.46	8	↓ MOL2 SDF SMILES Flexibase

13258728

Analogs

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Popular Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]-4-methyl-benzoic 3-[[2-(2,3-dihydro-1,4-benzodiox…

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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)	2.22	4.53	-72.91	1	9	-1	125	419.435	6	↓ MOL2 SDF SMILES Flexibase

13259599

Analogs

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Popular Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoic 3-[[2-(2,3-dihydro-1,4-benzodiox…

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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)	1.82	3.7	-71.72	1	9	-1	125	405.408	6	↓ MOL2 SDF SMILES Flexibase

13259817

Analogs

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Popular Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoic 4-[[2-(2,3-dihydro-1,4-benzodiox…

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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)	1.84	3.71	-65.26	1	9	-1	125	405.408	6	↓ MOL2 SDF SMILES Flexibase

13260302

Analogs

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Popular Name: 5-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoic 5-chloro-2-[[2-(2,3-dihydro-1,4-…

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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)	2.63	4.49	-48.52	1	9	-1	125	439.853	6	↓ MOL2 SDF SMILES Flexibase

13260492

Analogs

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Popular Name: 5-bromo-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoic 5-bromo-2-[[2-(2,3-dihydro-1,4-b…

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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)	2.76	4.67	-51.3	1	9	-1	125	484.304	6	↓ MOL2 SDF SMILES Flexibase

13261046

Analogs

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Popular Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]-4,5-dimethoxy-benzoic 2-[[2-(2,3-dihydro-1,4-benzodiox…

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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)	1.60	3.3	-54.31	1	11	-1	144	465.46	8	↓ MOL2 SDF SMILES Flexibase

13261259

Analogs

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Popular Name: 5-chloro-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]-2-methoxy-benzoi 5-chloro-4-[[2-(2,3-dihydro-1,4-…

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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	4.41	-64.05	1	10	-1	134	469.879	7	↓ MOL2 SDF SMILES Flexibase

13404584

Analogs

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Popular Name: (E)-3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(2,3-dihydro-1,4-be…

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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)	1.90	4.93	-65.98	1	9	-1	125	431.446	7	↓ MOL2 SDF SMILES Flexibase

13425877

Analogs

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Popular Name: 4-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoic 4-chloro-2-[[2-(2,3-dihydro-1,4-…

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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)	2.63	4.58	-50.12	1	9	-1	125	439.853	6	↓ MOL2 SDF SMILES Flexibase

13426143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzoic 4-chloro-3-[[2-(2,3-dihydro-1,4-…

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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)	2.45	4.34	-63.15	1	9	-1	125	439.853	6	↓ MOL2 SDF SMILES Flexibase

13426425

Analogs

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Popular Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]benzene-1,3-dicarboxylic 5-[[2-(2,3-dihydro-1,4-benzodiox…

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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)	1.68	3.3	-129.94	1	11	-2	165	448.409	7	↓ MOL2 SDF SMILES Flexibase

13428613

Analogs

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Popular Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-methyl-amino)acetyl]amino]-4-fluoro-benzoic 2-[[2-(2,3-dihydro-1,4-benzodiox…

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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	4.13	-49.76	1	9	-1	125	423.398	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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