ZINC 12

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	4.72	-58.64	4	5	1	75	285.323	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	4.31	-13.78	3	5	0	74	284.315	3	↓ MOL2 SDF SMILES Flexibase

36329267

Analogs

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Popular Name: N-(3-aminophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-aminophenyl)-2,3-dihydro-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	4.54	-14.06	3	5	0	74	270.288	2	↓ MOL2 SDF SMILES Flexibase

36329269

Analogs

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Popular Name: N-(2-aminophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-aminophenyl)-2,3-dihydro-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	4.83	-14.39	3	5	0	74	270.288	2	↓ MOL2 SDF SMILES Flexibase

36329270

Analogs

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Popular Name: N-(2-amino-4-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(2-amino-4-chloro-phenyl)-2,3-…

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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)	3.15	5.35	-13.53	3	5	0	74	304.733	2	↓ MOL2 SDF SMILES Flexibase

36329272

Analogs

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Popular Name: N-(5-amino-2-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(5-amino-2-methyl-phenyl)-2,3-…

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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)	2.51	5.43	-14.06	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329273

Analogs

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Popular Name: N-(4-aminophenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-aminophenyl)-2,3-dihydro-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	4.54	-14.33	3	5	0	74	270.288	2	↓ MOL2 SDF SMILES Flexibase

36329274

Analogs

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Popular Name: N-(4-amino-2-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(4-amino-2-methyl-phenyl)-2,3-…

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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)	2.51	5.41	-14.5	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329275

Analogs

43473798

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Popular Name: N-(5-amino-2-fluoro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(5-amino-2-fluoro-phenyl)-2,3-…

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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)	2.23	4.66	-12.48	3	5	0	74	288.278	2	↓ MOL2 SDF SMILES Flexibase

36329276

Analogs

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(2-amino-4-fluoro-phenyl)-2,3-…

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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)	2.63	4.9	-13.93	3	5	0	74	288.278	2	↓ MOL2 SDF SMILES Flexibase

36329277

Analogs

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Popular Name: N-(3-amino-4-fluoro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(3-amino-4-fluoro-phenyl)-2,3-…

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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)	2.63	4.64	-13.72	3	5	0	74	288.278	2	↓ MOL2 SDF SMILES Flexibase

36329278

Analogs

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Popular Name: N-(2-amino-5-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(2-amino-5-chloro-phenyl)-2,3-…

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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)	3.15	5.35	-15.41	3	5	0	74	304.733	2	↓ MOL2 SDF SMILES Flexibase

36329279

Analogs

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Popular Name: N-(3-amino-4-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(3-amino-4-chloro-phenyl)-2,3-…

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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)	3.15	5.13	-13.13	3	5	0	74	304.733	2	↓ MOL2 SDF SMILES Flexibase

36329280

Analogs

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Popular Name: N-(4-amino-2-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-amino-2-chloro-phenyl)-2,3-…

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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)	2.74	5.19	-11.91	3	5	0	74	304.733	2	↓ MOL2 SDF SMILES Flexibase

36329282

Analogs

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Popular Name: N-(3-amino-2-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-amino-2-methyl-phenyl)-2,3-…

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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)	2.89	5.56	-14.56	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329284

Analogs

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Popular Name: N-(3-amino-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-amino-4-methyl-phenyl)-2,3-…

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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)	2.92	5.32	-14.1	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329285

Analogs

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Popular Name: N-(4-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(4-aminophenyl)-N-methyl-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)	2.38	5.43	-15.15	2	5	0	65	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329287

Analogs

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Popular Name: N-(2-amino-4-bromo-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(2-amino-4-bromo-phenyl)-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)	3.28	5.45	-13.42	3	5	0	74	349.184	2	↓ MOL2 SDF SMILES Flexibase

36329289

Analogs

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Popular Name: N-(2-amino-6-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-amino-6-methyl-phenyl)-2,3-…

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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)	2.89	5.5	-13.54	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329290

Analogs

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Popular Name: N-(2-amino-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-amino-4-methyl-phenyl)-2,3-…

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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)	2.92	5.51	-14.46	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

36329291

Analogs

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Popular Name: N-(5-amino-2-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(5-amino-2-chloro-phenyl)-2,3-…

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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)	2.74	5.19	-11.87	3	5	0	74	304.733	2	↓ MOL2 SDF SMILES Flexibase

36329293

Analogs

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Popular Name: N-(4-amino-2-bromo-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-amino-2-bromo-phenyl)-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)	2.87	5.31	-11.72	3	5	0	74	349.184	2	↓ MOL2 SDF SMILES Flexibase

36330546

Analogs

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Popular Name: N-(4-cyanophenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-cyanophenyl)-2,3-dihydro-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	7.08	-15.38	1	5	0	71	280.283	2	↓ MOL2 SDF SMILES Flexibase

36330548

Analogs

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Popular Name: N-(2-cyanophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-cyanophenyl)-2,3-dihydro-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	7.1	-11.84	1	5	0	71	280.283	2	↓ MOL2 SDF SMILES Flexibase

36330550

Analogs

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Popular Name: N-(3-cyanophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-cyanophenyl)-2,3-dihydro-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	7.07	-18.11	1	5	0	71	280.283	2	↓ MOL2 SDF SMILES Flexibase

36330558

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-bromo-4-methyl-phenyl)-2,3-…

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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)	4.24	8.08	-10.82	1	4	0	48	348.196	2	↓ MOL2 SDF SMILES Flexibase

36330559

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(4-bromo-2-methyl-phenyl)-2,3-…

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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)	4.24	8.17	-12.74	1	4	0	48	348.196	2	↓ MOL2 SDF SMILES Flexibase

36330561

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-bromo-2-fluoro-phenyl)-2,3-…

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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)	3.96	7.4	-9.95	1	4	0	48	352.159	2	↓ MOL2 SDF SMILES Flexibase

36330563

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(4-bromo-3-methyl-phenyl)-2,3-…

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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)	4.24	7.88	-12.9	1	4	0	48	348.196	2	↓ MOL2 SDF SMILES Flexibase

36330565

Analogs

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Popular Name: N-(2-bromophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-bromophenyl)-2,3-dihydro-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)	3.82	7.42	-10.98	1	4	0	48	334.169	2	↓ MOL2 SDF SMILES Flexibase

36330566

Analogs

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Popular Name: N-(4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-bromophenyl)-2,3-dihydro-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)	3.87	7.29	-12.82	1	4	0	48	334.169	2	↓ MOL2 SDF SMILES Flexibase

36330568

Analogs

37121534

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Popular Name: N-(3-bromophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-bromophenyl)-2,3-dihydro-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)	3.84	7.31	-14.73	1	4	0	48	334.169	2	↓ MOL2 SDF SMILES Flexibase

36330570

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(2-bromo-4-fluoro-phenyl)-2,3-…

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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)	3.96	7.5	-9.88	1	4	0	48	352.159	2	↓ MOL2 SDF SMILES Flexibase

36330602

Analogs

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Popular Name: N-(4-hydroxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(4-hydroxyphenyl)-N-methyl-2,3…

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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)	2.82	4.71	-15.8	1	5	0	59	285.299	2	↓ MOL2 SDF SMILES Flexibase

36330604

Analogs

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Popular Name: N-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-hydroxyphenyl)-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)	2.58	3.81	-14.65	2	5	0	68	271.272	2	↓ MOL2 SDF SMILES Flexibase

36330606

Analogs

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Popular Name: N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-hydroxyphenyl)-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)	2.56	3.82	-15.83	2	5	0	68	271.272	2	↓ MOL2 SDF SMILES Flexibase

62580084

Analogs

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Popular Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[3-chloro-4-(diethylcarbamoyl)…

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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)	3.38	9.07	-21.41	1	6	0	68	388.851	5	↓ MOL2 SDF SMILES Flexibase

66431695

Analogs

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Popular Name: N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[5-fluoro-2-(2-methoxyethoxy)p…

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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)	3.10	6.33	-16.15	1	6	0	66	347.342	6	↓ MOL2 SDF SMILES Flexibase

66433018

Analogs

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Popular Name: N-(5-fluoro-2-isopropoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(5-fluoro-2-isopropoxy-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)	3.94	7.73	-14.04	1	5	0	57	331.343	4	↓ MOL2 SDF SMILES Flexibase

66440974

Analogs

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Popular Name: N-(3-carbamoyl-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-carbamoyl-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)	2.25	4.17	-16.11	3	6	0	91	312.325	3	↓ MOL2 SDF SMILES Flexibase

69457702

Analogs

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Popular Name: N-[2-(difluoromethoxy)-6-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[2-(difluoromethoxy)-6-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)	4.02	7.45	-16.53	1	5	0	57	335.306	4	↓ MOL2 SDF SMILES Flexibase

69514449

Analogs

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Popular Name: N-[3-(ethoxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[3-(ethoxymethyl)phenyl]-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)	3.36	7.37	-14.5	1	5	0	57	313.353	5	↓ MOL2 SDF SMILES Flexibase

55071352

Analogs

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Popular Name: N-[3-chloro-4-(propanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[3-chloro-4-(propanoylamino)ph…

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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	7.01	-16.8	2	6	0	77	360.797	4	↓ MOL2 SDF SMILES Flexibase

69704809

Analogs

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Popular Name: N-(3-amino-3-oxo-propyl)-N-phenyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(3-amino-3-oxo-propyl)-N-pheny…

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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	4.93	-15.59	2	6	0	82	326.352	5	↓ MOL2 SDF SMILES Flexibase

69741109

Analogs

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Popular Name: N-(2,5-difluorophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2,5-difluorophenyl)-N-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)	3.56	8.1	-14.13	0	4	0	39	305.28	2	↓ MOL2 SDF SMILES Flexibase

69744561

Analogs

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Popular Name: N-(2-fluorophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-(2-fluorophenyl)-N-methyl-2,3-…

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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)	3.42	8.03	-14.99	0	4	0	39	287.29	2	↓ MOL2 SDF SMILES Flexibase

67023018

Analogs

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Popular Name: N-(4-bromo-2-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-bromo-2-chloro-phenyl)-2,3-…

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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)	4.47	7.91	-9.66	1	4	0	48	368.614	2	↓ MOL2 SDF SMILES Flexibase

67030142

Analogs

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Popular Name: N-(4-fluoro-3-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-fluoro-3-nitro-phenyl)-2,3-…

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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)	3.11	7.41	-22.53	1	7	0	93	318.26	3	↓ MOL2 SDF SMILES Flexibase

67030249

Analogs

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Popular Name: N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(4-nitrophenyl)-2,3-dihydro-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)	3.02	7.38	-16.08	1	7	0	93	300.27	3	↓ MOL2 SDF SMILES Flexibase

67034642

Analogs

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Popular Name: N-ethyl-N-(o-tolyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-ethyl-N-(o-tolyl)-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)	4.08	9.12	-12.16	0	4	0	39	297.354	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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