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ZINC Item

Suppliers, Protomers, & Similar Substances

35628619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]-4-methyl-phenol 2-[(1R)-1-(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)	3.63	4.89	-7.93	2	4	0	51	285.343	3	↓ MOL2 SDF SMILES Flexibase

35628620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]-4-methyl-phenol 2-[(1S)-1-(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)	3.63	4.91	-7.5	2	4	0	51	285.343	3	↓ MOL2 SDF SMILES Flexibase

36131555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N7-methyl-N7-(o-tolylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-methyl-N7-(o-tolylmethyl)-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)	2.76	7.52	-6.77	2	4	0	48	284.359	3	↓ MOL2 SDF SMILES Flexibase

36131618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N7-[(2-fluorophenyl)methyl]-N7-methyl-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-[(2-fluorophenyl)methyl]-N7-m…

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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	6.57	-7.81	2	4	0	48	288.322	3	↓ MOL2 SDF SMILES Flexibase

36131676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N7-[(4-fluorophenyl)methyl]-N7-methyl-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-[(4-fluorophenyl)methyl]-N7-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.83	-6.3	2	4	0	48	288.322	3	↓ MOL2 SDF SMILES Flexibase

20237597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine N-benzyl-N-(2,3-dihydro-1,4-benz…

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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)	2.02	6.83	-53.52	3	4	1	49	299.394	6	↓ MOL2 SDF SMILES Flexibase

20238824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine N-benzyl-N-(2,3-dihydro-1,4-benz…

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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	6.08	-54.42	3	4	1	49	285.367	5	↓ MOL2 SDF SMILES Flexibase

20238826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(o-tolylmethyl)ethane-1,2-diamine N-(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)	2.15	7.25	-53.81	3	4	1	49	299.394	5	↓ MOL2 SDF SMILES Flexibase

20238828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(m-tolylmethyl)ethane-1,2-diamine N-(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)	2.18	6.74	-54.26	3	4	1	49	299.394	5	↓ MOL2 SDF SMILES Flexibase

20238831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(p-tolylmethyl)ethane-1,2-diamine N-(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)	2.20	6.75	-54.4	3	4	1	49	299.394	5	↓ MOL2 SDF SMILES Flexibase

20238833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine N-(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)	1.87	6	-48.65	3	4	1	49	303.357	5	↓ MOL2 SDF SMILES Flexibase

20238835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine N-(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)	1.92	6.15	-58.25	3	4	1	49	303.357	5	↓ MOL2 SDF SMILES Flexibase

57921510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N7-(o-tolylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-(o-tolylmethyl)-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)	2.51	4.99	-43.42	4	4	1	58	271.34	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.51	5.09	-6.6	3	4	0	57	270.332	3	↓ MOL2 SDF SMILES Flexibase

57921540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N7-(m-tolylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-(m-tolylmethyl)-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)	2.54	4.93	-43.15	4	4	1	58	271.34	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.54	5.04	-6.71	3	4	0	57	270.332	3	↓ MOL2 SDF SMILES Flexibase

57997981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]phenol 2-bromo-4-[(2,3-dihydro-1,4-benz…

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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)	3.22	4.04	-8.46	2	4	0	51	336.185	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.22	4.81	-41.96	1	4	-1	54	335.177	3	↓ MOL2 SDF SMILES Flexibase

63000874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-phenyl-ethanol (2S)-2-[(6-amino-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)	1.66	1.93	-8.02	4	5	0	77	286.331	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	1.81	-43.89	5	5	1	78	287.339	4	↓ MOL2 SDF SMILES Flexibase

63000875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-phenyl-ethanol (2R)-2-[(6-amino-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)	1.66	1.94	-8.02	4	5	0	77	286.331	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	1.82	-43.94	5	5	1	78	287.339	4	↓ MOL2 SDF SMILES Flexibase

55015386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-phenyl-propanenitrile (3R)-3-(2,3-dihydro-1,4-benzodio…

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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)	2.34	7.05	-11.53	1	4	0	54	280.327	4	↓ MOL2 SDF SMILES Flexibase

55015388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-phenyl-propanenitrile (3S)-3-(2,3-dihydro-1,4-benzodio…

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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)	2.34	7.06	-11.57	1	4	0	54	280.327	4	↓ MOL2 SDF SMILES Flexibase

69787689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chloro-4-ethoxy-5-methoxy-phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(3-chloro-4-ethoxy-5-methoxy-…

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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)	3.53	7.02	-9.55	1	5	0	49	349.814	6	↓ MOL2 SDF SMILES Flexibase

69787699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(3-methoxy-4-propoxy-phenyl)m…

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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	7.15	-9.66	1	5	0	49	329.396	7	↓ MOL2 SDF SMILES Flexibase

69787715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(4-allyloxy-3-methoxy-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)	2.99	6.93	-10.08	1	5	0	49	327.38	7	↓ MOL2 SDF SMILES Flexibase

48794805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-6-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]phenol 2-bromo-6-[(2,3-dihydro-1,4-benz…

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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	4.09	-8.48	2	4	0	51	336.185	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.20	4.84	-40.12	1	4	-1	54	335.177	3	↓ MOL2 SDF SMILES Flexibase

48795759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-6-[[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]phenol 2-bromo-6-[[(6-chloro-2,3-dihydr…

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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	4.69	-7.71	2	4	0	51	370.63	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.80	5.44	-39.93	1	4	-1	54	369.622	3	↓ MOL2 SDF SMILES Flexibase

37201130

Analogs

37777647
37777648

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-iodophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-1-(4-iodophenyl)ethyl]-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)	4.34	8.07	-6.42	1	3	0	30	381.213	3	↓ MOL2 SDF SMILES Flexibase

37201131

Analogs

37777647
37777648

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-iodophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-1-(4-iodophenyl)ethyl]-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)	4.34	8.08	-6.44	1	3	0	30	381.213	3	↓ MOL2 SDF SMILES Flexibase

37201151

Analogs

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Popular Name: N-[(1R)-1-(m-tolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-1-(m-tolyl)ethyl]-2,3-di…

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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)	3.69	7.64	-6.26	1	3	0	30	269.344	3	↓ MOL2 SDF SMILES Flexibase

37201152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(m-tolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-1-(m-tolyl)ethyl]-2,3-di…

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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)	3.69	7.64	-6.24	1	3	0	30	269.344	3	↓ MOL2 SDF SMILES Flexibase

37201153

Analogs

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Popular Name: N-[(1S)-1-(3-bromophenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-1-(3-bromophenyl)propyl]…

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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)	4.55	7.94	-6.44	1	3	0	30	348.24	4	↓ MOL2 SDF SMILES Flexibase

37201154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromophenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-1-(3-bromophenyl)propyl]…

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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)	4.55	8.57	-6.37	1	3	0	30	348.24	4	↓ MOL2 SDF SMILES Flexibase

37201155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4,5-trimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(2,4,5-trimethylphenyl)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)	3.90	7.97	-6.11	1	3	0	30	283.371	3	↓ MOL2 SDF SMILES Flexibase

37201156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,3,6-trichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(2,3,6-trichlorophenyl)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)	4.59	7.51	-6.43	1	3	0	30	344.625	3	↓ MOL2 SDF SMILES Flexibase

37201159

Analogs

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Popular Name: N-[(1S)-1-(2-chloro-4-fluoro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-1-(2-chloro-4-fluoro-phe…

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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)	4.03	7.51	-6.59	1	3	0	30	307.752	3	↓ MOL2 SDF SMILES Flexibase

37201160

Analogs

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Popular Name: N-[(1R)-1-(2-chloro-4-fluoro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-1-(2-chloro-4-fluoro-phe…

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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)	4.03	7.48	-6.5	1	3	0	30	307.752	3	↓ MOL2 SDF SMILES Flexibase

37201162

Analogs

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Popular Name: N-[(3,4-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(3,4-dimethylphenyl)methyl]-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)	3.53	7.46	-6.19	1	3	0	30	269.344	3	↓ MOL2 SDF SMILES Flexibase

37201163

Analogs

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Popular Name: N-[(4-methoxy-3-methyl-phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(4-methoxy-3-methyl-phenyl)me…

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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)	3.14	6.28	-7.57	1	4	0	40	285.343	4	↓ MOL2 SDF SMILES Flexibase

37201164

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-4-fluoro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-1-(3-bromo-4-fluoro-phen…

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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)	4.16	7.63	-7.87	1	3	0	30	352.203	3	↓ MOL2 SDF SMILES Flexibase

37201165

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-4-fluoro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-1-(3-bromo-4-fluoro-phen…

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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)	4.16	7.64	-7.83	1	3	0	30	352.203	3	↓ MOL2 SDF SMILES Flexibase

37201167

Analogs

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Popular Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-2-methyl-1-phenyl-propyl…

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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)	4.01	8.53	-6.08	1	3	0	30	283.371	4	↓ MOL2 SDF SMILES Flexibase

37201168

Analogs

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Popular Name: N-[(1R)-2-methyl-1-phenyl-propyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-2-methyl-1-phenyl-propyl…

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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)	4.01	8.48	-6.07	1	3	0	30	283.371	4	↓ MOL2 SDF SMILES Flexibase

37201173

Analogs

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Popular Name: 3-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]benzonitrile 3-[(1S)-1-(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)	2.99	7.35	-9.83	1	4	0	54	280.327	3	↓ MOL2 SDF SMILES Flexibase

37201174

Analogs

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Popular Name: 3-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]benzonitrile 3-[(1R)-1-(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)	2.99	7.35	-9.87	1	4	0	54	280.327	3	↓ MOL2 SDF SMILES Flexibase

37228344

Analogs

37777712

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Popular Name: N-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(2,5-difluorophenyl)methyl]-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)	2.96	6.33	-7	1	3	0	30	277.27	3	↓ MOL2 SDF SMILES Flexibase

37278040

Analogs

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Popular Name: 6-bromo-N-[(1S)-1-(4-iodophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine 6-bromo-N-[(1S)-1-(4-iodophenyl)…

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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)	5.08	8.79	-5.42	1	3	0	30	460.109	3	↓ MOL2 SDF SMILES Flexibase

37278042

Analogs

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Popular Name: 6-bromo-N-[(1R)-1-(4-iodophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine 6-bromo-N-[(1R)-1-(4-iodophenyl)…

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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)	5.08	8.79	-5.43	1	3	0	30	460.109	3	↓ MOL2 SDF SMILES Flexibase

37278051

Analogs

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Popular Name: 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine 6-bromo-N-[(3,4-dimethylphenyl)m…

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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)	4.26	8.17	-5.41	1	3	0	30	348.24	3	↓ MOL2 SDF SMILES Flexibase

41640937

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibromophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1S)-1-(2,4-dibromophenyl)eth…

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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)	4.81	8.13	-6.12	1	3	0	30	413.109	3	↓ MOL2 SDF SMILES Flexibase

41640939

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibromophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(1R)-1-(2,4-dibromophenyl)eth…

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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)	4.81	8.1	-6.11	1	3	0	30	413.109	3	↓ MOL2 SDF SMILES Flexibase

37329125

Analogs

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Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine N-[(3-fluoro-4-methoxy-phenyl)me…

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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)	2.85	5.62	-9.95	1	4	0	40	289.306	4	↓ MOL2 SDF SMILES Flexibase

49515054

Analogs

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Popular Name: N7-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-[(1S)-1-(3-chlorophenyl)ethyl…

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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)	3.33	5.62	-7.59	3	4	0	57	304.777	3	↓ MOL2 SDF SMILES Flexibase

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