ZINC 12

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ZINC Item

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49275718

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.71	7.07	-19.26	0	4	0	52	351.225	3	↓ MOL2 SDF SMILES Flexibase

49275719

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.73	7.07	-15.99	0	4	0	52	351.225	3	↓ MOL2 SDF SMILES Flexibase

49275722

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.60	6.96	-16.19	0	4	0	52	306.774	3	↓ MOL2 SDF SMILES Flexibase

49275725

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	7.12	-16.96	0	4	0	52	286.356	3	↓ MOL2 SDF SMILES Flexibase

49275728

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	6.52	-13.79	0	4	0	52	290.319	3	↓ MOL2 SDF SMILES Flexibase

49275730

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.73	7.07	-13.29	0	4	0	52	351.225	3	↓ MOL2 SDF SMILES Flexibase

49275733

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	7.2	-9.67	0	4	0	52	286.356	3	↓ MOL2 SDF SMILES Flexibase

49275736

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	7.86	-9.17	0	4	0	52	300.383	3	↓ MOL2 SDF SMILES Flexibase

49275738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-6,7-dimethyl-indoline-2,3-dione 1-[(2-ethylthiazol-4-yl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	7.74	-9.47	0	4	0	52	300.383	3	↓ MOL2 SDF SMILES Flexibase

49275741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-6-methoxy-indoline-2,3-dione 1-[(2-ethylthiazol-4-yl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	5.77	-15.32	0	5	0	61	302.355	4	↓ MOL2 SDF SMILES Flexibase

49275744

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.60	6.96	-13.53	0	4	0	52	306.774	3	↓ MOL2 SDF SMILES Flexibase

49275747

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.85	7.27	-6.3	0	4	0	52	369.215	3	↓ MOL2 SDF SMILES Flexibase

49275750

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.71	7.2	-8.93	0	4	0	52	351.225	3	↓ MOL2 SDF SMILES Flexibase

49275753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-4,6-dimethyl-indoline-2,3-dione 1-[(2-ethylthiazol-4-yl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	7.77	-16.52	0	4	0	52	300.383	3	↓ MOL2 SDF SMILES Flexibase

49275756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-5-methoxy-indoline-2,3-dione 1-[(2-ethylthiazol-4-yl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	5.76	-18.07	0	5	0	61	302.355	4	↓ MOL2 SDF SMILES Flexibase

49275758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-[(2-ethylthiazol-4-yl)methyl]indoline-2,3-dione 5-ethyl-1-[(2-ethylthiazol-4-yl)…

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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	7.89	-9.24	0	4	0	52	300.383	4	↓ MOL2 SDF SMILES Flexibase

49275761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-4,7-dimethyl-indoline-2,3-dione 1-[(2-ethylthiazol-4-yl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	7.86	-9.71	0	4	0	52	300.383	3	↓ MOL2 SDF SMILES Flexibase

49275764

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.58	6.52	-13.29	0	4	0	52	306.774	3	↓ MOL2 SDF SMILES Flexibase

49275767

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	6.4	-10.87	0	4	0	52	308.309	3	↓ MOL2 SDF SMILES Flexibase

49275769

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	7	-12.64	0	4	0	52	304.346	3	↓ MOL2 SDF SMILES Flexibase

49275772

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.8	-7.64	0	4	0	52	365.252	3	↓ MOL2 SDF SMILES Flexibase

49275774

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	6.84	-13.9	0	4	0	52	324.764	3	↓ MOL2 SDF SMILES Flexibase

49275777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-4,6-difluoro-indoline-2,3-dione 1-[(2-ethylthiazol-4-yl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	6.59	-15.46	0	4	0	52	308.309	3	↓ MOL2 SDF SMILES Flexibase

49275780

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.83	7.11	-12.84	0	4	0	52	369.215	3	↓ MOL2 SDF SMILES Flexibase

49275783

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.58	6.96	-19.54	0	4	0	52	306.774	3	↓ MOL2 SDF SMILES Flexibase

49276431

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.21	7.84	-19.2	0	4	0	52	365.252	4	↓ MOL2 SDF SMILES Flexibase

49276433

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.24	7.85	-15.86	0	4	0	52	365.252	4	↓ MOL2 SDF SMILES Flexibase

49276436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 5-chloro-1-[(2-propylthiazol-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)	3.11	7.73	-16.13	0	4	0	52	320.801	4	↓ MOL2 SDF SMILES Flexibase

49276439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 5-methyl-1-[(2-propylthiazol-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)	2.88	7.9	-16.93	0	4	0	52	300.383	4	↓ MOL2 SDF SMILES Flexibase

49276442

Analogs

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Popular Name: 6-fluoro-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 6-fluoro-1-[(2-propylthiazol-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)	2.59	7.29	-13.67	0	4	0	52	304.346	4	↓ MOL2 SDF SMILES Flexibase

49276444

Analogs

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

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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)	3.24	7.84	-13.17	0	4	0	52	365.252	4	↓ MOL2 SDF SMILES Flexibase

49276447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 7-methyl-1-[(2-propylthiazol-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)	2.85	7.97	-9.39	0	4	0	52	300.383	4	↓ MOL2 SDF SMILES Flexibase

49276450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 6-chloro-1-[(2-propylthiazol-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)	3.11	7.73	-13.43	0	4	0	52	320.801	4	↓ MOL2 SDF SMILES Flexibase

49276453

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.21	7.97	-8.7	0	4	0	52	365.252	4	↓ MOL2 SDF SMILES Flexibase

49276455

Analogs

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Popular Name: 7-chloro-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 7-chloro-1-[(2-propylthiazol-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)	3.08	7.29	-13.16	0	4	0	52	320.801	4	↓ MOL2 SDF SMILES Flexibase

49276458

Analogs

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Popular Name: 4-chloro-1-[(2-propylthiazol-4-yl)methyl]indoline-2,3-dione 4-chloro-1-[(2-propylthiazol-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)	3.08	7.73	-19.45	0	4	0	52	320.801	4	↓ MOL2 SDF SMILES Flexibase

49277068

Analogs

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Popular Name: 4-bromo-1-[(2-isopropylthiazol-4-yl)methyl]indoline-2,3-dione 4-bromo-1-[(2-isopropylthiazol-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)	3.20	7.69	-19.22	0	4	0	52	365.252	3	↓ MOL2 SDF SMILES Flexibase

49277071

Analogs

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Popular Name: 5-bromo-1-[(2-isopropylthiazol-4-yl)methyl]indoline-2,3-dione 5-bromo-1-[(2-isopropylthiazol-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)	3.22	7.69	-15.95	0	4	0	52	365.252	3	↓ MOL2 SDF SMILES Flexibase

49277074

Analogs

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

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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)	3.09	7.58	-16.13	0	4	0	52	320.801	3	↓ MOL2 SDF SMILES Flexibase

49277076

Analogs

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Popular Name: 1-[(2-isopropylthiazol-4-yl)methyl]-5-methyl-indoline-2,3-dione 1-[(2-isopropylthiazol-4-yl)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)	2.86	7.74	-9.17	0	4	0	52	300.383	3	↓ MOL2 SDF SMILES Flexibase

49277079

Analogs

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

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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)	2.57	7.14	-13.72	0	4	0	52	304.346	3	↓ MOL2 SDF SMILES Flexibase

49277081

Analogs

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Popular Name: 6-bromo-1-[(2-isopropylthiazol-4-yl)methyl]indoline-2,3-dione 6-bromo-1-[(2-isopropylthiazol-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)	3.22	7.68	-13.19	0	4	0	52	365.252	3	↓ MOL2 SDF SMILES Flexibase

49277084

Analogs

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Popular Name: 1-[(2-isopropylthiazol-4-yl)methyl]-7-methyl-indoline-2,3-dione 1-[(2-isopropylthiazol-4-yl)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)	2.83	7.81	-9.43	0	4	0	52	300.383	3	↓ MOL2 SDF SMILES Flexibase

49277087

Analogs

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

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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)	3.09	7.59	-13.45	0	4	0	52	320.801	3	↓ MOL2 SDF SMILES Flexibase

49277090

Analogs

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Popular Name: 7-bromo-1-[(2-isopropylthiazol-4-yl)methyl]indoline-2,3-dione 7-bromo-1-[(2-isopropylthiazol-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)	3.20	7.82	-8.74	0	4	0	52	365.252	3	↓ MOL2 SDF SMILES Flexibase

49277093

Analogs

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

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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)	3.06	7.13	-13.27	0	4	0	52	320.801	3	↓ MOL2 SDF SMILES Flexibase

49277095

Analogs

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

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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)	3.06	7.57	-19.46	0	4	0	52	320.801	3	↓ MOL2 SDF SMILES Flexibase

42074706

Analogs

4424026

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	6.58	-15.88	0	4	0	52	286.356	2	↓ MOL2 SDF SMILES Flexibase

42074744

Analogs

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

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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	5.85	-15.74	0	4	0	52	272.329	2	↓ MOL2 SDF SMILES Flexibase

42076507

Analogs

4424026

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dimethyl-1-[(2-methylthiazol-4-yl)methyl]indoline-2,3-dione 6,7-dimethyl-1-[(2-methylthiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	7.22	-9.58	0	4	0	52	286.356	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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