ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6051494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-1-(2-methylindolin-1-yl)-ethanone 2-(2,4-dichlorophenoxy)-1-(2-met…

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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	10.72	-11.62	0	3	0	30	336.218	3	↓ MOL2 SDF SMILES Flexibase

6051495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-1-(2-methylindolin-1-yl)-ethanone 2-(2,4-dichlorophenoxy)-1-(2-met…

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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	10.72	-11.64	0	3	0	30	336.218	3	↓ MOL2 SDF SMILES Flexibase

13014098

Analogs

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Popular Name: 3-[2-(2-indolin-1-yl-2-oxo-ethoxy)phenyl]propanoic 3-[2-(2-indolin-1-yl-2-oxo-ethox…

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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	10.32	-65.32	0	5	-1	70	324.356	6	↓ MOL2 SDF SMILES Flexibase

13014101

Analogs

13014103

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Popular Name: 3-[2-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-[(2R)-2-methylindolin-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)	3.26	10.93	-65.55	0	5	-1	70	338.383	6	↓ MOL2 SDF SMILES Flexibase

13014103

Analogs

13014101

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-[(2S)-2-methylindolin-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)	3.26	10.95	-65.47	0	5	-1	70	338.383	6	↓ MOL2 SDF SMILES Flexibase

13014630

Analogs

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Popular Name: 2,3,5-trichloro-6-(2-indolin-1-yl-2-oxo-ethoxy)benzoic 2,3,5-trichloro-6-(2-indolin-1-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)	4.43	10.37	-57.78	0	5	-1	70	399.637	4	↓ MOL2 SDF SMILES Flexibase

13014632

Analogs

13014634

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5-trichloro-6-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-[(2R)-2-met…

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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)	4.76	11	-57.1	0	5	-1	70	413.664	4	↓ MOL2 SDF SMILES Flexibase

13014634

Analogs

13014632

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5-trichloro-6-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-[(2S)-2-met…

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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)	4.76	10.99	-58.15	0	5	-1	70	413.664	4	↓ MOL2 SDF SMILES Flexibase

13410471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 2-[(1R)-2-indolin-1-yl-1-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)	3.34	9.69	-80.72	0	5	-1	70	310.329	4	↓ MOL2 SDF SMILES Flexibase

13410474

Analogs

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Popular Name: 2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 2-[(1S)-2-indolin-1-yl-1-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)	3.34	9.7	-80.57	0	5	-1	70	310.329	4	↓ MOL2 SDF SMILES Flexibase

13411951

Analogs

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Popular Name: 2-[2-(5-nitroindolin-1-yl)-2-oxo-ethoxy]benzoic 2-[2-(5-nitroindolin-1-yl)-2-oxo…

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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)	2.92	9.86	-71.62	0	8	-1	115	341.299	5	↓ MOL2 SDF SMILES Flexibase

13414207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(5-nitroindolin-1-yl)-2-oxo-ethoxy]benzoic 4-[2-(5-nitroindolin-1-yl)-2-oxo…

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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	9.37	-57.24	0	8	-1	115	341.299	5	↓ MOL2 SDF SMILES Flexibase

23362996

Analogs

23362999

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]-4-methoxy-benzamide 2-[(1S)-2-indolin-1-yl-1-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	6.66	-28.25	2	6	0	82	340.379	5	↓ MOL2 SDF SMILES Flexibase

23362999

Analogs

23362996

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]-4-methoxy-benzamide 2-[(1R)-2-indolin-1-yl-1-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	6.68	-28.15	2	6	0	82	340.379	5	↓ MOL2 SDF SMILES Flexibase

13418664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 4-[(1R)-2-indolin-1-yl-1-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)	3.31	9.23	-57.87	0	5	-1	70	310.329	4	↓ MOL2 SDF SMILES Flexibase

13418665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 4-[(1S)-2-indolin-1-yl-1-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)	3.31	9.22	-58.81	0	5	-1	70	310.329	4	↓ MOL2 SDF SMILES Flexibase

13418985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 3-[(1R)-2-indolin-1-yl-1-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)	3.29	9.23	-67.25	0	5	-1	70	310.329	4	↓ MOL2 SDF SMILES Flexibase

13418986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 3-[(1S)-2-indolin-1-yl-1-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)	3.29	9.22	-67.47	0	5	-1	70	310.329	4	↓ MOL2 SDF SMILES Flexibase

13419412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(5-nitroindolin-1-yl)-2-oxo-ethoxy]benzoic 3-[2-(5-nitroindolin-1-yl)-2-oxo…

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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	9.36	-63.59	0	8	-1	115	341.299	5	↓ MOL2 SDF SMILES Flexibase

13419547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-indolin-1-yl-2-oxo-ethoxy)-3-methoxy-benzoic 4-(2-indolin-1-yl-2-oxo-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)	2.54	8.45	-55.38	0	6	-1	79	326.328	5	↓ MOL2 SDF SMILES Flexibase

13419549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[(2S)-2-methylind…

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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	9.08	-55.31	0	6	-1	79	340.355	5	↓ MOL2 SDF SMILES Flexibase

13419550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[(2R)-2-methylind…

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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	9.06	-55.38	0	6	-1	79	340.355	5	↓ MOL2 SDF SMILES Flexibase

13419975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1S)-2-indolin-1-yl-1-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)	2.90	8.99	-59.52	0	6	-1	79	340.355	5	↓ MOL2 SDF SMILES Flexibase

13419976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1R)-2-indolin-1-yl-1-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)	2.90	8.95	-59.67	0	6	-1	79	340.355	5	↓ MOL2 SDF SMILES Flexibase

13420534

Analogs

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Popular Name: 3-methoxy-4-[2-(5-nitroindolin-1-yl)-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-(5-nitroindolin-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)	2.47	9.12	-58.02	0	9	-1	125	371.325	6	↓ MOL2 SDF SMILES Flexibase

13420718

Analogs

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Popular Name: 2-[4-(2-indolin-1-yl-2-oxo-ethoxy)phenyl]acetic 2-[4-(2-indolin-1-yl-2-oxo-ethox…

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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	9.5	-53.27	0	5	-1	70	310.329	5	↓ MOL2 SDF SMILES Flexibase

13420720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(2R)-2-methylindolin-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)	2.79	10.11	-53.26	0	5	-1	70	324.356	5	↓ MOL2 SDF SMILES Flexibase

13420721

Analogs

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Popular Name: 2-[4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(2S)-2-methylindolin-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)	2.79	10.11	-53.24	0	5	-1	70	324.356	5	↓ MOL2 SDF SMILES Flexibase

13421104

Analogs

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Popular Name: 2-[4-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1R)-2-indolin-1-yl-1-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)	2.82	10.04	-57.13	0	5	-1	70	324.356	5	↓ MOL2 SDF SMILES Flexibase

13421105

Analogs

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Popular Name: 2-[4-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1S)-2-indolin-1-yl-1-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)	2.82	10.02	-57.32	0	5	-1	70	324.356	5	↓ MOL2 SDF SMILES Flexibase

13421611

Analogs

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Popular Name: 2-[4-[2-(5-nitroindolin-1-yl)-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-(5-nitroindolin-1-yl)-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)	2.40	10.17	-55.34	0	8	-1	115	355.326	6	↓ MOL2 SDF SMILES Flexibase

13421788

Analogs

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Popular Name: 4-(2-indolin-1-yl-2-oxo-ethoxy)benzene-1,3-dicarboxylic 4-(2-indolin-1-yl-2-oxo-ethoxy)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)	2.87	8.82	-129.01	0	7	-2	110	339.303	5	↓ MOL2 SDF SMILES Flexibase

13421790

Analogs

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Popular Name: 4-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(2R)-2-methylindolin-1-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)	3.20	9.43	-129.49	0	7	-2	110	353.33	5	↓ MOL2 SDF SMILES Flexibase

13421791

Analogs

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Popular Name: 4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(2S)-2-methylindolin-1-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)	3.20	9.44	-129.53	0	7	-2	110	353.33	5	↓ MOL2 SDF SMILES Flexibase

13422241

Analogs

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Popular Name: 4-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1R)-2-indolin-1-yl-1-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)	3.23	9.36	-136	0	7	-2	110	353.33	5	↓ MOL2 SDF SMILES Flexibase

13422242

Analogs

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Popular Name: 4-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1S)-2-indolin-1-yl-1-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)	3.23	9.32	-136.48	0	7	-2	110	353.33	5	↓ MOL2 SDF SMILES Flexibase

13422803

Analogs

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Popular Name: 4-[2-(5-nitroindolin-1-yl)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(5-nitroindolin-1-yl)-2-oxo…

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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	9.49	-128.09	0	10	-2	156	384.3	6	↓ MOL2 SDF SMILES Flexibase

13422975

Analogs

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Popular Name: 3,5-dichloro-4-(2-indolin-1-yl-2-oxo-ethoxy)benzoic 3,5-dichloro-4-(2-indolin-1-yl-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)	4.16	9.92	-46.59	0	5	-1	70	365.192	4	↓ MOL2 SDF SMILES Flexibase

13422976

Analogs

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Popular Name: 3,5-dichloro-4-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(2R)-2-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)	4.49	10.53	-46.59	0	5	-1	70	379.219	4	↓ MOL2 SDF SMILES Flexibase

13422977

Analogs

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Popular Name: 3,5-dichloro-4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(2S)-2-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)	4.49	10.55	-46.59	0	5	-1	70	379.219	4	↓ MOL2 SDF SMILES Flexibase

13423350

Analogs

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Popular Name: 3,5-dichloro-4-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[(1R)-2-indolin-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)	4.52	10.31	-49.83	0	5	-1	70	379.219	4	↓ MOL2 SDF SMILES Flexibase

13423351

Analogs

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Popular Name: 3,5-dichloro-4-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[(1S)-2-indolin-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)	4.52	10.32	-49.62	0	5	-1	70	379.219	4	↓ MOL2 SDF SMILES Flexibase

13676333

Analogs

37050255
37050256

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Popular Name: 2-(3,5-dimethylphenoxy)-1-[(2R)-2-methylindolin-1-yl]ethanone 2-(3,5-dimethylphenoxy)-1-[(2R)-…

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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)	4.19	11.01	-11.07	0	3	0	30	295.382	3	↓ MOL2 SDF SMILES Flexibase

13676335

Analogs

37050255
37050256

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Popular Name: 2-(3,5-dimethylphenoxy)-1-[(2S)-2-methylindolin-1-yl]ethanone 2-(3,5-dimethylphenoxy)-1-[(2S)-…

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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)	4.19	11.02	-11.04	0	3	0	30	295.382	3	↓ MOL2 SDF SMILES Flexibase

14013378

Analogs

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Popular Name: 1H-indole, 2,3-dihydro-1-[2-(4-methylphenoxy)-1-oxobutyl]- 1H-indole, 2,3-dihydro-1-[2-(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)	4.35	10.82	-14.8	0	3	0	30	295.382	4	↓ MOL2 SDF SMILES Flexibase

14013381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indole, 2,3-dihydro-1-[2-(4-methylphenoxy)-1-oxobutyl]- 1H-indole, 2,3-dihydro-1-[2-(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)	4.35	10.8	-14.87	0	3	0	30	295.382	4	↓ MOL2 SDF SMILES Flexibase

3402990

Analogs

3544645

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Popular Name: 2-(3,4-dichlorophenoxy)-1-indolin-1-yl-ethanone 2-(3,4-dichlorophenoxy)-1-indoli…

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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	0.99	-11.35	0	3	0	29	322.191	3	↓ MOL2 SDF SMILES Flexibase

3404365

Analogs

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Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-1-indolin-1-yl-ethanone 2-(4-bromo-2-fluoro-phenoxy)-1-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)	3.94	1.24	-13.27	0	3	0	29	350.187	3	↓ MOL2 SDF SMILES Flexibase

68950956

Analogs

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Popular Name: (2R)-2-(3,4-difluorophenoxy)-1-[(2R)-2-methylindolin-1-yl]propan-1-one (2R)-2-(3,4-difluorophenoxy)-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)	3.98	10.14	-9.59	0	3	0	30	317.335	3	↓ MOL2 SDF SMILES Flexibase

68950959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-difluorophenoxy)-1-[(2S)-2-methylindolin-1-yl]propan-1-one (2R)-2-(3,4-difluorophenoxy)-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)	3.98	10.19	-16.63	0	3	0	30	317.335	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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