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ZINC Item

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10506409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)pr 3-[4-(difluoromethoxy)-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)	2.89	1.61	-25.58	1	9	0	111	422.34	7	↓ MOL2 SDF SMILES Flexibase

36339049

Analogs

16008725

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide (E)-N-(6-bromo-2,3-dihydro-1,4-b…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.68	7.42	-10.05	1	5	0	57	444.203	5	↓ MOL2 SDF SMILES Flexibase

22668186

Analogs

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Popular Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (E)-3-(4-allyloxy-3-methoxy-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)	3.27	7.58	-19.58	1	6	0	66	367.401	7	↓ MOL2 SDF SMILES Flexibase

13012114

Analogs

32160252
32214578

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Popular Name: (E)-3-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide (E)-3-(4-acetamidophenyl)-N-(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)	2.19	5.76	-20.96	2	6	0	77	338.363	4	↓ MOL2 SDF SMILES Flexibase

23039916

Analogs

24945370
24945885

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Popular Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enamide (E)-N-(6-bromo-2,3-dihydro-1,4-b…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	7.76	-14.97	1	6	0	66	434.286	6	↓ MOL2 SDF SMILES Flexibase

23042581

Analogs

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Popular Name: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enamide (E)-N-(2,3-dihydro-1,4-benzodiox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	8.71	-19	1	6	0	66	383.444	8	↓ MOL2 SDF SMILES Flexibase

23042583

Analogs

7598634

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Popular Name: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enamide (E)-N-(2,3-dihydro-1,4-benzodiox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	7	-19.42	1	6	0	66	355.39	6	↓ MOL2 SDF SMILES Flexibase

13413292

Analogs

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Popular Name: 4-[(E)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[(6-bromo-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)	3.62	7.25	-55.26	1	6	-1	88	403.208	4	↓ MOL2 SDF SMILES Flexibase

13429503

Analogs

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Popular Name: 7-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-methylsulfanylpheny…

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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)	3.43	7.84	-51.32	1	6	-1	88	370.406	5	↓ MOL2 SDF SMILES Flexibase

13429507

Analogs

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Popular Name: 7-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-[4-(difluoromethoxy)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)	3.61	6.44	-54.29	1	7	-1	97	390.318	6	↓ MOL2 SDF SMILES Flexibase

13429509

Analogs

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Popular Name: 7-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(3,4-dichlorophenyl)pr…

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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)	4.28	7.82	-50.71	1	6	-1	88	393.202	4	↓ MOL2 SDF SMILES Flexibase

13429552

Analogs

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Popular Name: 7-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(p-tolyl)prop-2-enoyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	7.52	-51.39	1	6	-1	88	338.339	4	↓ MOL2 SDF SMILES Flexibase

13429569

Analogs

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Popular Name: 7-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-ethoxy-3-methoxy-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)	3.02	6.98	-52.98	1	8	-1	106	398.391	7	↓ MOL2 SDF SMILES Flexibase

13429573

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-car 7-[[(E)-3-(3-chloro-5-ethoxy-4-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)	3.82	7.58	-51.76	1	8	-1	106	432.836	7	↓ MOL2 SDF SMILES Flexibase

13429577

Analogs

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Popular Name: 7-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-allyloxy-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)	3.29	7.57	-52.97	1	8	-1	106	410.402	8	↓ MOL2 SDF SMILES Flexibase

13429587

Analogs

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Popular Name: 7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2-fluorophenyl)prop-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)	2.93	6.87	-52.32	1	6	-1	88	342.302	4	↓ MOL2 SDF SMILES Flexibase

13429589

Analogs

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Popular Name: 7-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(5-bromo-2-methoxy-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)	3.61	6.87	-53.86	1	7	-1	97	433.234	5	↓ MOL2 SDF SMILES Flexibase

13429591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[(E)-3-(4-allyloxyphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-allyloxyphenyl)prop…

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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)	3.70	7.66	-51.58	1	7	-1	97	380.376	7	↓ MOL2 SDF SMILES Flexibase

13429594

Analogs

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Popular Name: 7-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-bromophenyl)prop-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)	3.80	7.47	-49.72	1	6	-1	88	403.208	4	↓ MOL2 SDF SMILES Flexibase

13429596

Analogs

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Popular Name: 7-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2,3-dichlorophenyl)pr…

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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	7.72	-50.81	1	6	-1	88	393.202	4	↓ MOL2 SDF SMILES Flexibase

13429598

Analogs

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Popular Name: 7-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(5-bromo-2-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)	3.72	7.47	-51.2	1	6	-1	88	421.198	4	↓ MOL2 SDF SMILES Flexibase

13429632

Analogs

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Popular Name: 7-[[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(3-ethoxy-4-propoxy-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)	3.90	8.71	-52.55	1	8	-1	106	426.445	9	↓ MOL2 SDF SMILES Flexibase

13429706

Analogs

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Popular Name: 7-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(3-methoxy-4-propoxy-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)	3.52	7.79	-52.67	1	8	-1	106	412.418	8	↓ MOL2 SDF SMILES Flexibase

13429734

Analogs

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Popular Name: 7-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-[4-(trifluoromethyl)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)	3.89	7.84	-49.9	1	6	-1	88	392.309	5	↓ MOL2 SDF SMILES Flexibase

13429759

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxyl 7-[[(E)-3-(3-chloro-4,5-dimethox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	6.66	-52.12	1	8	-1	106	418.809	6	↓ MOL2 SDF SMILES Flexibase

13429763

Analogs

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Popular Name: 7-[[(E)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxyli 7-[[(E)-3-(4-isobutoxy-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)	3.76	8.47	-52.6	1	8	-1	106	426.445	8	↓ MOL2 SDF SMILES Flexibase

13429766

Analogs

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Popular Name: 7-[[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(3-ethoxy-4-methoxy-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)	3.02	6.99	-53.02	1	8	-1	106	398.391	7	↓ MOL2 SDF SMILES Flexibase

13429787

Analogs

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Popular Name: 7-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-chloro-3-nitro-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)	3.56	7.87	-51.11	1	9	-1	134	403.754	5	↓ MOL2 SDF SMILES Flexibase

13429788

Analogs

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Popular Name: 7-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-isopropylphenyl)pro…

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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)	4.51	8.76	-51.06	1	6	-1	88	366.393	5	↓ MOL2 SDF SMILES Flexibase

13429793

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-car 7-[[(E)-3-(3-chloro-4-ethoxy-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)	3.82	7.67	-52.3	1	8	-1	106	432.836	7	↓ MOL2 SDF SMILES Flexibase

13429806

Analogs

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Popular Name: 7-[[(E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxyl 7-[[(E)-3-(4-isopropoxy-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)	3.38	7.61	-52.74	1	8	-1	106	412.418	7	↓ MOL2 SDF SMILES Flexibase

13429812

Analogs

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Popular Name: 7-[[(E)-3-[4-(difluoromethoxy)-3-ethoxy-phenyl]prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-ca 7-[[(E)-3-[4-(difluoromethoxy)-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)	3.58	7.26	-54.38	1	8	-1	106	434.371	8	↓ MOL2 SDF SMILES Flexibase

13429828

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6 7-[[(E)-3-(3-chloro-4-isopropoxy…

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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)	4.18	8.17	-52.33	1	8	-1	106	446.863	7	↓ MOL2 SDF SMILES Flexibase

13429850

Analogs

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Popular Name: 7-[[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-car 7-[[(E)-3-[4-chloro-3-(trifluoro…

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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)	4.50	8.23	-49.16	1	6	-1	88	426.754	5	↓ MOL2 SDF SMILES Flexibase

13429852

Analogs

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Popular Name: 7-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-car 7-[[(E)-3-[2-chloro-5-(trifluoro…

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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)	4.32	8.27	-51.03	1	6	-1	88	426.754	5	↓ MOL2 SDF SMILES Flexibase

13429854

Analogs

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Popular Name: 7-[[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-[4-(trifluoromethoxy)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)	3.96	6.65	-50.66	1	7	-1	97	408.308	6	↓ MOL2 SDF SMILES Flexibase

13429895

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6- 7-[[(E)-3-(3-chloro-4-isobutoxy-…

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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)	4.57	9.14	-52.06	1	8	-1	106	460.89	8	↓ MOL2 SDF SMILES Flexibase

13429897

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-ca 7-[[(E)-3-(3-chloro-5-methoxy-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)	4.32	8.42	-51.93	1	8	-1	106	446.863	8	↓ MOL2 SDF SMILES Flexibase

13429899

Analogs

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Popular Name: 7-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(o-tolyl)prop-2-enoyl]…

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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	7.33	-51.86	1	6	-1	88	338.339	4	↓ MOL2 SDF SMILES Flexibase

13429901

Analogs

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Popular Name: 7-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2-ethoxyphenyl)prop-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)	3.20	7.14	-54.24	1	7	-1	97	368.365	6	↓ MOL2 SDF SMILES Flexibase

13429903

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(3-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)	3.77	7.41	-51.32	1	6	-1	88	376.747	4	↓ MOL2 SDF SMILES Flexibase

13429905

Analogs

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Popular Name: 7-[[(E)-3-(4-bromo-3-chloro-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-bromo-3-chloro-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)	4.41	7.91	-50.52	1	6	-1	88	437.653	4	↓ MOL2 SDF SMILES Flexibase

13429907

Analogs

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Popular Name: 7-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2-bromo-4-methyl-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)	4.00	7.99	-51.7	1	6	-1	88	417.235	4	↓ MOL2 SDF SMILES Flexibase

13429913

Analogs

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Popular Name: 7-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2-bromophenyl)prop-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)	3.58	7.36	-51.53	1	6	-1	88	403.208	4	↓ MOL2 SDF SMILES Flexibase

13429915

Analogs

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Popular Name: 7-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(m-tolyl)prop-2-enoyl]…

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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	7.5	-51.2	1	6	-1	88	338.339	4	↓ MOL2 SDF SMILES Flexibase

13429917

Analogs

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Popular Name: 7-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-cyanophenyl)prop-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)	2.75	7.24	-51.87	1	7	-1	111	349.322	4	↓ MOL2 SDF SMILES Flexibase

13429919

Analogs

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Popular Name: 7-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2,6-dichlorophenyl)pr…

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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	7.76	-52.72	1	6	-1	88	393.202	4	↓ MOL2 SDF SMILES Flexibase

13429921

Analogs

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Popular Name: 7-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(4-ethoxyphenyl)prop-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)	3.43	7.08	-51.66	1	7	-1	97	368.365	6	↓ MOL2 SDF SMILES Flexibase

13429923

Analogs

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Popular Name: 7-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(2,4,5-trimethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	5.44	-55.88	1	9	-1	115	414.39	7	↓ MOL2 SDF SMILES Flexibase

13429927

Analogs

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Popular Name: 7-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[[(E)-3-(3-chloro-4-methyl-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)	4.05	7.94	-51.9	1	6	-1	88	372.784	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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