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ZINC Item

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41636720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-[(3,5-dimethylisoxazol-4-yl)methyl]indoline-2,3-dione 7-bromo-1-[(3,5-dimethylisoxazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	6.21	-12.91	0	5	0	65	335.157	2	↓ MOL2 SDF SMILES Flexibase

42074613

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-4-ylmethyl)-5,7-dimethyl-indoline-2,3-dione 1-(isoxazol-4-ylmethyl)-5,7-dime…

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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)	1.71	5.83	-14.87	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42074709

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-5,7-dimethyl-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	2.15	6.83	-15.78	0	5	0	65	284.315	2	↓ MOL2 SDF SMILES Flexibase

42076389

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-4-ylmethyl)-6,7-dimethyl-indoline-2,3-dione 1-(isoxazol-4-ylmethyl)-6,7-dime…

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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)	1.71	5.72	-14.76	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42076510

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-6,7-dimethyl-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	2.15	6.72	-15.65	0	5	0	65	284.315	2	↓ MOL2 SDF SMILES Flexibase

42076761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-4-ylmethyl)-6-methoxy-indoline-2,3-dione 1-(isoxazol-4-ylmethyl)-6-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)	0.94	4.27	-13.17	0	6	0	74	258.233	3	↓ MOL2 SDF SMILES Flexibase

42076893

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-6-methoxy-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	1.38	5.23	-12.84	0	6	0	74	286.287	3	↓ MOL2 SDF SMILES Flexibase

42077184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 6-chloro-1-(isoxazol-4-ylmethyl)…

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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)	1.56	5.48	-11.91	0	5	0	65	262.652	2	↓ MOL2 SDF SMILES Flexibase

42077339

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-[(3,5-dimethylisoxazol-4-yl)methyl]indoline-2,3-dione 6-chloro-1-[(3,5-dimethylisoxazo…

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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)	2.00	6.43	-11.38	0	5	0	65	290.706	2	↓ MOL2 SDF SMILES Flexibase

42079036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-5-fluoro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 7-bromo-5-fluoro-1-(isoxazol-4-y…

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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)	0.81	5.15	-8.84	0	5	0	65	325.093	2	↓ MOL2 SDF SMILES Flexibase

42079150

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-[(3,5-dimethylisoxazol-4-yl)methyl]-5-fluoro-indoline-2,3-dione 7-bromo-1-[(3,5-dimethylisoxazol…

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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)	1.25	6.28	-10.67	0	5	0	65	353.147	2	↓ MOL2 SDF SMILES Flexibase

42100463

Analogs

14201148

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 7-bromo-1-(isoxazol-4-ylmethyl)i…

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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	5.08	-10.75	0	5	0	65	307.103	2	↓ MOL2 SDF SMILES Flexibase

42101109

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-4-ylmethyl)-4,6-dimethyl-indoline-2,3-dione 1-(isoxazol-4-ylmethyl)-4,6-dime…

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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)	1.71	6.26	-13.91	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42101181

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-4,6-dimethyl-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	2.15	7.2	-13.82	0	5	0	65	284.315	2	↓ MOL2 SDF SMILES Flexibase

42102603

Analogs

5427425
6662243
28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-4-ylmethyl)-5-methoxy-indoline-2,3-dione 1-(isoxazol-4-ylmethyl)-5-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)	0.94	4.26	-16.03	0	6	0	74	258.233	3	↓ MOL2 SDF SMILES Flexibase

42102705

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-5-methoxy-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	1.38	5.21	-15.53	0	6	0	74	286.287	3	↓ MOL2 SDF SMILES Flexibase

42105185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 5-ethyl-1-(isoxazol-4-ylmethyl)i…

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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)	1.80	6.39	-14.4	0	5	0	65	256.261	3	↓ MOL2 SDF SMILES Flexibase

42105313

Analogs

28465053
28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-5-ethyl-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	2.24	7.33	-14.16	0	5	0	65	284.315	3	↓ MOL2 SDF SMILES Flexibase

42108071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(isoxazol-4-ylmethyl)-4,7-dimethyl-indoline-2,3-dione 1-(isoxazol-4-ylmethyl)-4,7-dime…

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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)	1.71	5.83	-15.3	0	5	0	65	256.261	2	↓ MOL2 SDF SMILES Flexibase

42108184

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-4,7-dimethyl-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	2.15	6.82	-16.23	0	5	0	65	284.315	2	↓ MOL2 SDF SMILES Flexibase

42111265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 7-chloro-1-(isoxazol-4-ylmethyl)…

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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	4.98	-10.72	0	5	0	65	262.652	2	↓ MOL2 SDF SMILES Flexibase

42111410

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(3,5-dimethylisoxazol-4-yl)methyl]indoline-2,3-dione 7-chloro-1-[(3,5-dimethylisoxazo…

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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)	1.98	6.16	-13	0	5	0	65	290.706	2	↓ MOL2 SDF SMILES Flexibase

42114029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-difluoro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 5,7-difluoro-1-(isoxazol-4-ylmet…

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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)	0.16	4.91	-9.41	0	5	0	65	264.187	2	↓ MOL2 SDF SMILES Flexibase

42114157

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-5,7-difluoro-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	0.61	6.02	-10.54	0	5	0	65	292.241	2	↓ MOL2 SDF SMILES Flexibase

42116479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-1-(isoxazol-4-ylmethyl)-5-methyl-indoline-2,3-dione 7-fluoro-1-(isoxazol-4-ylmethyl)…

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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)	1.42	5.5	-10.22	0	5	0	65	260.224	2	↓ MOL2 SDF SMILES Flexibase

42116593

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-fluoro-5-methyl-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	1.87	6.46	-12.17	0	5	0	65	288.278	2	↓ MOL2 SDF SMILES Flexibase

42117933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-(isoxazol-4-ylmethyl)-7-methyl-indoline-2,3-dione 5-bromo-1-(isoxazol-4-ylmethyl)-…

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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	5.72	-12.56	0	5	0	65	321.13	2	↓ MOL2 SDF SMILES Flexibase

42118005

Analogs

28462784

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-methyl-indoline-2,3-dione 5-bromo-1-[(3,5-dimethylisoxazol…

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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	6.96	-15.56	0	5	0	65	349.184	2	↓ MOL2 SDF SMILES Flexibase

42118932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-7-fluoro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 4-chloro-7-fluoro-1-(isoxazol-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)	1.65	5.34	-11.72	0	5	0	65	280.642	2	↓ MOL2 SDF SMILES Flexibase

42118971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-fluoro-indoline-2,3-dione 4-chloro-1-[(3,5-dimethylisoxazo…

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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)	2.09	6.46	-13.16	0	5	0	65	308.696	2	↓ MOL2 SDF SMILES Flexibase

42134860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-difluoro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 4,6-difluoro-1-(isoxazol-4-ylmet…

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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)	1.14	5.1	-14.35	0	5	0	65	264.187	2	↓ MOL2 SDF SMILES Flexibase

42134899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-4,6-difluoro-indoline-2,3-dione 1-[(3,5-dimethylisoxazol-4-yl)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)	1.58	6.06	-13.45	0	5	0	65	292.241	2	↓ MOL2 SDF SMILES Flexibase

42135378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 5-bromo-6-fluoro-1-(isoxazol-4-y…

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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)	1.78	5.62	-12.27	0	5	0	65	325.093	2	↓ MOL2 SDF SMILES Flexibase

42135417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(3,5-dimethylisoxazol-4-yl)methyl]-6-fluoro-indoline-2,3-dione 5-bromo-1-[(3,5-dimethylisoxazol…

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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	6.57	-11.33	0	5	0	65	353.147	2	↓ MOL2 SDF SMILES Flexibase

42136131

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Popular Name: 4-chloro-1-(isoxazol-4-ylmethyl)indoline-2,3-dione 4-chloro-1-(isoxazol-4-ylmethyl)…

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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	5.46	-17.25	0	5	0	65	262.652	2	↓ MOL2 SDF SMILES Flexibase

42136183

Analogs

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Popular Name: 4-chloro-1-[(3,5-dimethylisoxazol-4-yl)methyl]indoline-2,3-dione 4-chloro-1-[(3,5-dimethylisoxazo…

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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)	1.98	6.42	-16.8	0	5	0	65	290.706	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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