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ZINC Item

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6728589

Analogs

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	-0.47	-14.66	1	4	0	47	329.421	5	↓ MOL2 SDF SMILES Flexibase

19433199

Analogs

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Popular Name: (3-Aminophenyl)-N-(4-oxachroman-6-yl)formamide, 95% (3-Aminophenyl)-N-(4-oxachroman-…

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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)	1.39	3.47	-16.61	3	5	0	74	270.288	2	↓ MOL2 SDF SMILES Flexibase

20236164

Analogs

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Popular Name: N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide N-(2-aminoethyl)-N-(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)	1.39	4.62	-72.31	3	5	1	66	299.35	4	↓ MOL2 SDF SMILES Flexibase

20888624

Analogs

8060161

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(ureidomethyl)benzamide 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)	1.17	1.88	-19.12	4	7	0	103	327.34	4	↓ MOL2 SDF SMILES Flexibase

22668189

Analogs

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Popular Name: 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethoxy-4-propoxy-benzamide 3-chloro-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)	4.04	8.15	-14.24	1	6	0	66	391.851	7	↓ MOL2 SDF SMILES Flexibase

13413286

Analogs

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Popular Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoic 3-[(6-bromo-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)	2.87	6.72	-48.62	1	9	-1	134	422.167	4	↓ MOL2 SDF SMILES Flexibase

13413289

Analogs

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Popular Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]benzoic 4-[(6-bromo-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)	2.98	6.07	-50.44	1	6	-1	88	377.17	3	↓ MOL2 SDF SMILES Flexibase

13429482

Analogs

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Popular Name: 7-[[4-(difluoromethoxy)-3-methoxy-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[4-(difluoromethoxy)-3-methox…

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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	5.14	-52.97	1	8	-1	106	394.306	6	↓ MOL2 SDF SMILES Flexibase

13429497

Analogs

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Popular Name: 7-[(3-methyl-2-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-methyl-2-nitro-benzoyl)ami…

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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)	2.67	8.08	-57.98	1	9	-1	134	357.298	4	↓ MOL2 SDF SMILES Flexibase

13429499

Analogs

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Popular Name: 7-[[4-(difluoromethoxy)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[4-(difluoromethoxy)benzoyl]a…

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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)	2.97	5.25	-53.43	1	7	-1	97	364.28	5	↓ MOL2 SDF SMILES Flexibase

13429514

Analogs

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Popular Name: 7-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-bromo-5-methoxy-4-propoxy-…

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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	7.38	-49.3	1	8	-1	106	465.276	7	↓ MOL2 SDF SMILES Flexibase

13429528

Analogs

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Popular Name: 7-[(5-chloro-2-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(5-chloro-2-methoxy-benzoyl)a…

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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)	3.57	6.62	-54.97	1	7	-1	97	362.745	4	↓ MOL2 SDF SMILES Flexibase

13429530

Analogs

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Popular Name: 7-[(4,5-dimethoxy-2-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4,5-dimethoxy-2-nitro-benzoy…

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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)	1.89	6.19	-59.81	1	11	-1	152	403.323	6	↓ MOL2 SDF SMILES Flexibase

13429542

Analogs

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Popular Name: 7-[(4-methoxycarbonylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-methoxycarbonylbenzoyl)ami…

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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)	2.53	6.31	-49.59	1	8	-1	114	356.31	5	↓ MOL2 SDF SMILES Flexibase

13429557

Analogs

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Popular Name: 7-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[2-chloro-5-(dimethylsulfamoy…

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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	4.16	-59.23	1	9	-1	125	439.853	5	↓ MOL2 SDF SMILES Flexibase

13429559

Analogs

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Popular Name: 7-[(3,5-dichloro-2-iodo-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3,5-dichloro-2-iodo-benzoyl)…

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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)	4.65	7.67	-46.33	1	6	-1	88	493.06	3	↓ MOL2 SDF SMILES Flexibase

13429571

Analogs

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Popular Name: 7-[(3-chloro-4-ethoxy-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(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)	3.18	6.47	-49.49	1	8	-1	106	406.798	6	↓ MOL2 SDF SMILES Flexibase

13429575

Analogs

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Popular Name: 7-[(4-methylsulfanyl-3-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-methylsulfanyl-3-nitro-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)	2.68	7.18	-49.6	1	9	-1	134	389.365	5	↓ MOL2 SDF SMILES Flexibase

13429580

Analogs

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Popular Name: 7-[(3-chloro-4,5-dimethoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-chloro-4,5-dimethoxy-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)	2.81	5.52	-49.44	1	8	-1	106	392.771	5	↓ MOL2 SDF SMILES Flexibase

13429621

Analogs

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Popular Name: 7-[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-bromo-4-ethoxy-5-methoxy-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)	3.31	6.58	-49.49	1	8	-1	106	451.249	6	↓ MOL2 SDF SMILES Flexibase

13429637

Analogs

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Popular Name: 7-[(3,5-difluorobenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3,5-difluorobenzoyl)amino]-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)	2.61	5.76	-47.19	1	6	-1	88	334.254	3	↓ MOL2 SDF SMILES Flexibase

13429646

Analogs

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Popular Name: 7-[(4-methyl-3-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-methyl-3-nitro-benzoyl)ami…

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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)	2.69	6.8	-49.74	1	9	-1	134	357.298	4	↓ MOL2 SDF SMILES Flexibase

13429650

Analogs

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Popular Name: 7-[(2-bromo-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(2-bromo-5-methoxy-benzoyl)am…

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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	5.58	-53.83	1	7	-1	97	407.196	4	↓ MOL2 SDF SMILES Flexibase

13429666

Analogs

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Popular Name: 7-[(3-ethoxy-4-isobutoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-ethoxy-4-isobutoxy-benzoyl…

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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)	3.50	8.18	-50.86	1	8	-1	106	414.434	8	↓ MOL2 SDF SMILES Flexibase

13429683

Analogs

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Popular Name: 7-[(2-methylsulfanylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(2-methylsulfanylbenzoyl)amin…

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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	6.65	-54	1	6	-1	88	344.368	4	↓ MOL2 SDF SMILES Flexibase

13429699

Analogs

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Popular Name: 7-[(3-ethoxy-4-propoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-ethoxy-4-propoxy-benzoyl)a…

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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	7.5	-50.89	1	8	-1	106	400.407	8	↓ MOL2 SDF SMILES Flexibase

13429718

Analogs

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Popular Name: 7-[[3-(diethylsulfamoyl)-4-methyl-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[3-(diethylsulfamoyl)-4-methy…

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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)	2.80	6.21	-53.55	1	9	-1	125	447.489	7	↓ MOL2 SDF SMILES Flexibase

13429732

Analogs

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Popular Name: 7-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-bromo-5-ethoxy-4-methoxy-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)	3.31	6.54	-49.16	1	8	-1	106	451.249	6	↓ MOL2 SDF SMILES Flexibase

13429770

Analogs

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Popular Name: 7-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-isopentylsulfanyl-3-nitro-…

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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)	4.33	10.13	-48.65	1	9	-1	134	445.473	8	↓ MOL2 SDF SMILES Flexibase

13429781

Analogs

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Popular Name: 7-[(3-chloro-4-isobutoxy-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-chloro-4-isobutoxy-5-metho…

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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	7.94	-49.26	1	8	-1	106	434.852	7	↓ MOL2 SDF SMILES Flexibase

13429783

Analogs

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Popular Name: 7-[(4-ethoxy-3-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-ethoxy-3-methoxy-benzoyl)a…

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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	5.78	-51.35	1	8	-1	106	372.353	6	↓ MOL2 SDF SMILES Flexibase

13429785

Analogs

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Popular Name: 7-[(4-isobutylsulfanyl-3-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-isobutylsulfanyl-3-nitro-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)	3.80	9.41	-48.77	1	9	-1	134	431.446	7	↓ MOL2 SDF SMILES Flexibase

13429795

Analogs

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Popular Name: 7-[(3-chloro-5-methoxy-4-propoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-chloro-5-methoxy-4-propoxy…

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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)	3.68	7.27	-49.29	1	8	-1	106	420.825	7	↓ MOL2 SDF SMILES Flexibase

13429797

Analogs

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Popular Name: 7-[(3-chloro-4-isopentyloxy-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-chloro-4-isopentyloxy-5-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)	4.46	8.57	-49.21	1	8	-1	106	448.879	8	↓ MOL2 SDF SMILES Flexibase

13429799

Analogs

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Popular Name: 7-[(3-chloro-4-isopropoxy-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-chloro-4-isopropoxy-5-meth…

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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)	3.55	7.26	-49.51	1	8	-1	106	420.825	6	↓ MOL2 SDF SMILES Flexibase

13429801

Analogs

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Popular Name: 7-[[4-(difluoromethoxy)-3-ethoxy-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[4-(difluoromethoxy)-3-ethoxy…

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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)	2.94	6.06	-52.79	1	8	-1	106	408.333	7	↓ MOL2 SDF SMILES Flexibase

13429816

Analogs

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Popular Name: 7-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-butoxy-3-chloro-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)	4.24	8.05	-49.2	1	8	-1	106	434.852	8	↓ MOL2 SDF SMILES Flexibase

13429820

Analogs

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Popular Name: 7-[[5-(diethylsulfamoyl)-2-fluoro-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[5-(diethylsulfamoyl)-2-fluor…

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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	5.45	-60.69	1	9	-1	125	451.452	7	↓ MOL2 SDF SMILES Flexibase

13429832

Analogs

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Popular Name: 7-[[5-(diethylsulfamoyl)-2-methyl-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[5-(diethylsulfamoyl)-2-methy…

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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)	2.80	5.99	-60.6	1	9	-1	125	447.489	7	↓ MOL2 SDF SMILES Flexibase

13429840

Analogs

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Popular Name: 7-[(3-ethoxy-4-methoxy-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-ethoxy-4-methoxy-benzoyl)a…

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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	5.79	-51.45	1	8	-1	106	372.353	6	↓ MOL2 SDF SMILES Flexibase

13429856

Analogs

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Popular Name: 7-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[5-(dimethylsulfamoyl)-2-meth…

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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)	2.05	4.27	-59.96	1	9	-1	125	419.435	5	↓ MOL2 SDF SMILES Flexibase

13429858

Analogs

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Popular Name: 7-[[2-bromo-5-(dimethylsulfamoyl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[2-bromo-5-(dimethylsulfamoyl…

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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)	2.41	4.27	-58.93	1	9	-1	125	484.304	5	↓ MOL2 SDF SMILES Flexibase

13429860

Analogs

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Popular Name: 7-[[3-(dimethylsulfamoyl)-4-methoxy-benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[3-(dimethylsulfamoyl)-4-meth…

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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)	1.65	3.49	-55.88	1	10	-1	134	435.434	6	↓ MOL2 SDF SMILES Flexibase

13429862

Analogs

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Popular Name: 7-[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[4-bromo-3-(dimethylsulfamoyl…

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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)	2.41	4.04	-52.31	1	9	-1	125	484.304	5	↓ MOL2 SDF SMILES Flexibase

13429864

Analogs

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Popular Name: 7-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[4-chloro-3-(dimethylsulfamoy…

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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	3.96	-52.62	1	9	-1	125	439.853	5	↓ MOL2 SDF SMILES Flexibase

13429880

Analogs

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Popular Name: 7-[(3-ethoxycarbonyl-5-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-ethoxycarbonyl-5-nitro-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)	2.79	7.91	-51.17	1	11	-1	160	415.334	7	↓ MOL2 SDF SMILES Flexibase

13429930

Analogs

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Popular Name: 7-[(4-bromo-3-nitro-benzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-bromo-3-nitro-benzoyl)amin…

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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)	3.05	6.77	-46.39	1	9	-1	134	422.167	4	↓ MOL2 SDF SMILES Flexibase

13429938

Analogs

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Popular Name: 7-[(4-methylsulfonylbenzoyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4-methylsulfonylbenzoyl)amin…

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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)	1.23	3.2	-56.13	1	8	-1	122	376.366	4	↓ MOL2 SDF SMILES Flexibase

13429940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[4-(methylsulfanylmethyl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[4-(methylsulfanylmethyl)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)	2.85	7.55	-52.66	1	6	-1	88	358.395	5	↓ MOL2 SDF SMILES Flexibase

13429942

Analogs

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Popular Name: 7-[[3-(isopropyl-methyl-sulfamoyl)benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[3-(isopropyl-methyl-sulfamoy…

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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)	2.32	5	-53.71	1	9	-1	125	433.462	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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