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ZINC Item

Suppliers, Protomers, & Similar Substances

8010018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide N-(4-methyl-3-sulfamoyl-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)	1.41	-6.03	-23.43	3	7	0	107	348.38	3	↓ MOL2 SDF SMILES Flexibase

10511354

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide N-(4-methylsulfonylphenyl)-2,5-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)	1.21	-4.04	-20.74	1	6	0	81	333.365	3	↓ MOL2 SDF SMILES Flexibase

10511788

Analogs

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Popular Name: N-(2-methylsulfanylphenyl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide N-(2-methylsulfanylphenyl)-2,5-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)	2.72	-0.52	-11.15	1	4	0	47	301.367	3	↓ MOL2 SDF SMILES Flexibase

10512189

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide N-(2-methylsulfonylphenyl)-2,5-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)	1.60	-3.22	-14.35	1	6	0	81	333.365	3	↓ MOL2 SDF SMILES Flexibase

12039281

Analogs

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Popular Name: 7-methoxy-N-(4-methylsulfanylphenyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-9-carboxamide 7-methoxy-N-(4-methylsulfanylphe…

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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	-0.45	-14.02	1	5	0	57	331.393	4	↓ MOL2 SDF SMILES Flexibase

22696669

Analogs

36804424
36804428
37091279
37121704

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Popular Name: N-(3-bromophenyl)-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide N-(3-bromophenyl)-5-chloro-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)	3.93	6.8	-13.04	1	4	0	48	368.614	2	↓ MOL2 SDF SMILES Flexibase

13258430

Analogs

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Popular Name: 2-[[4-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoyl]amino]acetic 2-[[4-[(5-methoxy2,3-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)	-0.15	3.77	-53.84	2	9	-1	126	385.352	6	↓ MOL2 SDF SMILES Flexibase

13258652

Analogs

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Popular Name: 3-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-4-methyl-benzoic 3-[(5-methoxy2,3-dihydro-1,4-ben…

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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)	2.61	6.06	-69.71	1	7	-1	97	342.327	4	↓ MOL2 SDF SMILES Flexibase

13259523

Analogs

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Popular Name: 3-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 3-[(5-methoxy2,3-dihydro-1,4-ben…

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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)	2.21	5.17	-69.24	1	7	-1	97	328.3	4	↓ MOL2 SDF SMILES Flexibase

13259739

Analogs

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Popular Name: 4-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 4-[(5-methoxy2,3-dihydro-1,4-ben…

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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	5.18	-58.9	1	7	-1	97	328.3	4	↓ MOL2 SDF SMILES Flexibase

13260216

Analogs

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Popular Name: 5-chloro-2-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 5-chloro-2-[(5-methoxy2,3-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)	3.02	6.04	-46.82	1	7	-1	97	362.745	4	↓ MOL2 SDF SMILES Flexibase

13260425

Analogs

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Popular Name: 5-bromo-2-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 5-bromo-2-[(5-methoxy2,3-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)	3.15	6.14	-46.76	1	7	-1	97	407.196	4	↓ MOL2 SDF SMILES Flexibase

13260965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 4,5-dimethoxy-2-[(5-methoxy2,3-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)	1.99	4.77	-49.77	1	9	-1	115	388.352	6	↓ MOL2 SDF SMILES Flexibase

13261181

Analogs

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Popular Name: 5-chloro-2-methoxy-4-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 5-chloro-2-methoxy-4-[(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)	2.90	5.9	-57.64	1	8	-1	106	392.771	5	↓ MOL2 SDF SMILES Flexibase

13261404

Analogs

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Popular Name: 2-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 2-[(5-methoxy2,3-dihydro-1,4-ben…

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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)	2.36	5.53	-51.16	1	7	-1	97	328.3	4	↓ MOL2 SDF SMILES Flexibase

13403834

Analogs

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Popular Name: (E)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl]prop-2-enoic (E)-3-[4-(2,3-dihydro-1,4-benzod…

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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	6.52	-58.86	1	6	-1	88	324.312	4	↓ MOL2 SDF SMILES Flexibase

13404019

Analogs

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Popular Name: (E)-3-[4-[(5-chloro2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(5-chloro2,3-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)	3.11	7.06	-56.8	1	6	-1	88	358.757	4	↓ MOL2 SDF SMILES Flexibase

13404418

Analogs

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Popular Name: (E)-3-[4-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(5-methoxy2,3-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)	2.29	6.39	-59.2	1	7	-1	97	354.338	5	↓ MOL2 SDF SMILES Flexibase

23042619

Analogs

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Popular Name: 5-chloro-N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide 5-chloro-N-[5-(diethylsulfamoyl)…

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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	5.35	-19.24	1	8	0	94	454.932	7	↓ MOL2 SDF SMILES Flexibase

23359529

Analogs

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Popular Name: 5-chloro-N-(3-ethynylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide 5-chloro-N-(3-ethynylphenyl)-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)	2.88	7.36	-15.68	1	4	0	48	313.74	2	↓ MOL2 SDF SMILES Flexibase

13425803

Analogs

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Popular Name: 4-chloro-2-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 4-chloro-2-[(5-methoxy2,3-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)	3.02	6	-45.64	1	7	-1	97	362.745	4	↓ MOL2 SDF SMILES Flexibase

13426045

Analogs

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Popular Name: 4-chloro-3-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 4-chloro-3-[(5-methoxy2,3-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)	2.84	5.83	-59.83	1	7	-1	97	362.745	4	↓ MOL2 SDF SMILES Flexibase

13426357

Analogs

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Popular Name: 5-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzene-1,3-dicarboxylic 5-[(5-methoxy2,3-dihydro-1,4-ben…

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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)	2.07	4.77	-122.86	1	9	-2	137	371.301	5	↓ MOL2 SDF SMILES Flexibase

13428533

Analogs

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Popular Name: 4-fluoro-2-[(5-methoxy2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]benzoic 4-fluoro-2-[(5-methoxy2,3-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)	2.50	5.55	-45.28	1	7	-1	97	346.29	4	↓ MOL2 SDF SMILES Flexibase

57994490

Analogs

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Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide N-(2,3-dimethyl-5-sulfamoyl-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)	1.77	1.91	-21.18	3	8	0	117	392.433	4	↓ MOL2 SDF SMILES Flexibase

58330762

Analogs

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Popular Name: 5-methoxy-N-[3-methyl-2-(methylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide 5-methoxy-N-[3-methyl-2-(methylc…

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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	4.31	-16.73	2	7	0	86	356.378	4	↓ MOL2 SDF SMILES Flexibase

60553982

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide N-(4-chloro-2-methoxy-5-methyl-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)	3.26	7.45	-13.74	1	8	0	103	378.768	4	↓ MOL2 SDF SMILES Flexibase

14227438

Analogs

16598652

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Popular Name: N-(4-acetamidophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide N-(4-acetamidophenyl)-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)	1.54	4.44	-22.3	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

2786679

Analogs

6376381
6376695

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Popular Name:

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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)	2.59	1.06	-15.55	1	4	0	47	291.253	2	↓ MOL2 SDF SMILES Flexibase

14241145

Analogs

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Popular Name: N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide N-[3-(ethylcarbamoyl)phenyl]-5-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)	1.87	4.68	-23.93	2	7	0	86	356.378	5	↓ MOL2 SDF SMILES Flexibase

2792489

Analogs

655904

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Popular Name: N-[4-(difluoromethoxy)-3-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[4-(difluoromethoxy)-3-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)	2.54	0.91	-16.72	1	6	0	66	351.305	5	↓ MOL2 SDF SMILES Flexibase

14796861

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide N-(2,3-dichlorophenyl)-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)	3.58	6.65	-9.94	1	5	0	57	354.189	3	↓ MOL2 SDF SMILES Flexibase

69247908

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[5-chloro-2-(dimethylamino)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)	3.04	7.41	-11.27	1	5	0	51	332.787	3	↓ MOL2 SDF SMILES Flexibase

55553739

Analogs

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Popular Name: N-[4-(2-diethylaminoethyloxy)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[4-(2-diethylaminoethyloxy)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)	3.17	8.67	-44.24	2	6	1	61	371.457	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.17	6.2	-13.89	1	6	0	60	370.449	8	↓ MOL2 SDF SMILES Flexibase

55562555

Analogs

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Popular Name: N-[4-(isobutylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[4-(isobutylcarbamoyl)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)	2.65	6.3	-15.18	2	6	0	77	354.406	5	↓ MOL2 SDF SMILES Flexibase

66960797

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(2,4-difluoro-5-nitro-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)	2.48	6.52	-14.26	1	7	0	93	336.25	3	↓ MOL2 SDF SMILES Flexibase

67171498

Analogs

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Popular Name: N-[4-chloro-2-(ethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[4-chloro-2-(ethylcarbamoyl)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)	2.51	5.76	-11.07	2	6	0	77	360.797	4	↓ MOL2 SDF SMILES Flexibase

67241034

Analogs

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Popular Name: N-[3-[(1S)-1-methylsulfanylethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[3-[(1S)-1-methylsulfanylethyl…

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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)	3.17	8.03	-12.8	1	4	0	48	329.421	4	↓ MOL2 SDF SMILES Flexibase

67241036

Analogs

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Popular Name: N-[3-[(1R)-1-methylsulfanylethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[3-[(1R)-1-methylsulfanylethyl…

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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)	3.17	8.02	-12.15	1	4	0	48	329.421	4	↓ MOL2 SDF SMILES Flexibase

70329756

Analogs

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Popular Name: N-(3-fluoro-4-hydroxy-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(3-fluoro-4-hydroxy-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)	2.21	2.89	-16.23	2	5	0	68	289.262	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	3.65	-56.28	1	5	-1	71	288.254	2	↓ MOL2 SDF SMILES Flexibase

70331111

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-[4-(hydroxymethyl)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)	1.67	3	-14.15	2	5	0	68	285.299	3	↓ MOL2 SDF SMILES Flexibase

70332307

Analogs

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Popular Name: N-(3-hydroxy-2-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(3-hydroxy-2-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)	2.68	3.76	-12.3	2	5	0	68	285.299	2	↓ MOL2 SDF SMILES Flexibase

70332573

Analogs

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Popular Name: N-(3-hydroxy-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(3-hydroxy-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)	2.70	3.57	-15.18	2	5	0	68	285.299	2	↓ MOL2 SDF SMILES Flexibase

70333100

Analogs

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Popular Name: N-(2-fluoro-4-hydroxy-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(2-fluoro-4-hydroxy-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)	1.95	2.91	-11.15	2	5	0	68	289.262	2	↓ MOL2 SDF SMILES Flexibase

70333487

Analogs

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Popular Name: N-(4-chloro-3-hydroxy-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(4-chloro-3-hydroxy-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)	2.72	3.38	-13.81	2	5	0	68	305.717	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	4.13	-57.67	1	5	-1	71	304.709	2	↓ MOL2 SDF SMILES Flexibase

70334074

Analogs

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Popular Name: N-(2-chloro-4-hydroxy-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(2-chloro-4-hydroxy-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)	2.46	3.45	-10.75	2	5	0	68	305.717	2	↓ MOL2 SDF SMILES Flexibase

41636869

Analogs

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Popular Name: N-(3-ethynylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide N-(3-ethynylphenyl)-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)	2.08	6.86	-15.56	1	4	0	48	279.295	2	↓ MOL2 SDF SMILES Flexibase

37330975

Analogs

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Popular Name: N-(2-amino-6-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-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)	2.17	4.5	-12.29	3	5	0	74	284.315	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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