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ZINC Item

Suppliers, Protomers, & Similar Substances

9134729

Analogs

9134730
42893361

Draw Identity 99% 90% 80% 70%

Popular Name: benzofuran-2-yl-[2-(2-hydroxyethyl)-1-piperidyl]-methanone benzofuran-2-yl-[2-(2-hydroxyeth…

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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	-2.04	-10.53	1	4	0	53	273.332	3	↓ MOL2 SDF SMILES Flexibase

9134730

Analogs

42893361
9134729

Draw Identity 99% 90% 80% 70%

Popular Name: benzofuran-2-yl-[2-(2-hydroxyethyl)-1-piperidyl]-methanone benzofuran-2-yl-[2-(2-hydroxyeth…

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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	-1.89	-10.62	1	4	0	53	273.332	3	↓ MOL2 SDF SMILES Flexibase

40024458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[3-(methoxymethyl)benzofuran-2-carbonyl]-4-piperidyl]methanesulfonamide N-[1-[3-(methoxymethyl)benzofura…

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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)	1.37	2.85	-18.13	1	7	0	89	366.439	5	↓ MOL2 SDF SMILES Flexibase

19439726

Analogs

42892936

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(benzofuran-2-yl)methanone (4-amino-1-piperidyl)-(benzofura…

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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	4.31	-53.99	3	4	1	61	245.302	1	↓ MOL2 SDF SMILES Flexibase

11817211

Analogs

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Popular Name: methyl 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)	3.38	2.38	-10.69	0	5	0	60	315.369	3	↓ MOL2 SDF SMILES Flexibase

11998289

Analogs

11998290

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(7-fluoro-3-methyl-benzofuran-2-carbonyl)-3-piperidyl]methyl]acetamide N-[[(3S)-1-(7-fluoro-3-methyl-be…

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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	6.82	-12.44	1	5	0	63	332.375	3	↓ MOL2 SDF SMILES Flexibase

11998290

Analogs

11998289

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(7-fluoro-3-methyl-benzofuran-2-carbonyl)-3-piperidyl]methyl]acetamide N-[[(3R)-1-(7-fluoro-3-methyl-be…

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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	6.92	-12.42	1	5	0	63	332.375	3	↓ MOL2 SDF SMILES Flexibase

20892433

Analogs

20892437
21188950
21188955

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chlorobenzofuran-2-yl)-[(2R)-2-ethyl-1-piperidyl]methanone (5-chlorobenzofuran-2-yl)-[(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)	4.37	8.91	-5.67	0	3	0	33	291.778	2	↓ MOL2 SDF SMILES Flexibase

20892437

Analogs

21188950
21188955
20892433

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chlorobenzofuran-2-yl)-[(2S)-2-ethyl-1-piperidyl]methanone (5-chlorobenzofuran-2-yl)-[(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)	4.37	8.78	-5.67	0	3	0	33	291.778	2	↓ MOL2 SDF SMILES Flexibase

12027254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(2-methoxyethoxy)-1-piperidyl]methanone (7-fluoro-3-methyl-benzofuran-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)	1.87	7.16	-10.59	0	5	0	52	335.375	5	↓ MOL2 SDF SMILES Flexibase

20898479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chlorobenzofuran-2-yl)-[(3R,5R)-3,5-dimethyl-1-piperidyl]methanone (5-chlorobenzofuran-2-yl)-[(3R,5…

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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)	4.22	9.1	-6.08	0	3	0	33	291.778	1	↓ MOL2 SDF SMILES Flexibase

20898481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chlorobenzofuran-2-yl)-[(3R,5S)-3,5-dimethyl-1-piperidyl]methanone (5-chlorobenzofuran-2-yl)-[(3R,5…

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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)	4.22	8.85	-6.04	0	3	0	33	291.778	1	↓ MOL2 SDF SMILES Flexibase

20898484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chlorobenzofuran-2-yl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone (5-chlorobenzofuran-2-yl)-[(3S,5…

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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)	4.22	9	-6.05	0	3	0	33	291.778	1	↓ MOL2 SDF SMILES Flexibase

21531631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-(4-methylpiperidine-1-carbonyl)benzofuran-3-yl]acetamide 2-methoxy-N-[2-(4-methylpiperidi…

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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	6.6	-15.12	1	6	0	72	330.384	4	↓ MOL2 SDF SMILES Flexibase

36755219

Analogs

36755221

Draw Identity 99% 90% 80% 70%

Popular Name: (7-chloro-3-methyl-benzofuran-2-yl)-[(2S)-2-methyl-1-piperidyl]methanone (7-chloro-3-methyl-benzofuran-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)	4.18	8.87	-6.48	0	3	0	33	291.778	1	↓ MOL2 SDF SMILES Flexibase

36755221

Analogs

36755219

Draw Identity 99% 90% 80% 70%

Popular Name: (7-chloro-3-methyl-benzofuran-2-yl)-[(2R)-2-methyl-1-piperidyl]methanone (7-chloro-3-methyl-benzofuran-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)	4.18	9	-6.44	0	3	0	33	291.778	1	↓ MOL2 SDF SMILES Flexibase

13261778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(7-chloro-3-methyl-benzofuran-2-carbonyl)piperidine-4-carboxylic 1-(7-chloro-3-methyl-benzofuran-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.97	7.98	-51.49	0	5	-1	74	320.752	2	↓ MOL2 SDF SMILES Flexibase

13261849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-fluoro-3-methyl-benzofuran-2-carbonyl)piperidine-4-carboxylic 1-(5-fluoro-3-methyl-benzofuran-…

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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)	1.50	7.43	-48.48	0	5	-1	74	304.297	2	↓ MOL2 SDF SMILES Flexibase

13425601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperidine-4-carboxylic 1-(5-chloro-3-methyl-benzofuran-…

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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)	2.99	7.88	-48.32	0	5	-1	74	320.752	2	↓ MOL2 SDF SMILES Flexibase

13425605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylbenzofuran-2-carbonyl)piperidine-4-carboxylic 1-(3,5-dimethylbenzofuran-2-carb…

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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)	2.76	8.04	-50.52	0	5	-1	74	300.334	2	↓ MOL2 SDF SMILES Flexibase

13668847

Analogs

19887834

Draw Identity 99% 90% 80% 70%

Popular Name: (7-methoxybenzofuran-2-yl)-[(3R)-3-methyl-1-piperidyl]methanone (7-methoxybenzofuran-2-yl)-[(3R)…

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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)	3.10	6.95	-8.77	0	4	0	43	273.332	2	↓ MOL2 SDF SMILES Flexibase

13668848

Analogs

19887834

Draw Identity 99% 90% 80% 70%

Popular Name: (7-methoxybenzofuran-2-yl)-[(3S)-3-methyl-1-piperidyl]methanone (7-methoxybenzofuran-2-yl)-[(3S)…

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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)	3.10	7.03	-8.82	0	4	0	43	273.332	2	↓ MOL2 SDF SMILES Flexibase

13670386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.58	7.07	-12.42	0	6	0	69	317.341	4	↓ MOL2 SDF SMILES Flexibase

62842148

Analogs

13167202

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzofuran-2-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(benzofuran-2-carbonyl)-4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	7.87	-50.21	0	5	-1	74	286.307	2	↓ MOL2 SDF SMILES Flexibase

69142271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-chloro-3-methyl-benzofuran-2-yl)-[(2R)-2-ethyl-1-piperidyl]methanone (7-chloro-3-methyl-benzofuran-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)	4.72	9.58	-6.36	0	3	0	33	305.805	2	↓ MOL2 SDF SMILES Flexibase

69142274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-chloro-3-methyl-benzofuran-2-yl)-[(2S)-2-ethyl-1-piperidyl]methanone (7-chloro-3-methyl-benzofuran-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)	4.72	9.47	-6.37	0	3	0	33	305.805	2	↓ MOL2 SDF SMILES Flexibase

69142278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-ethyl-1-piperidyl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone [(2R)-2-ethyl-1-piperidyl]-(5-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	8.34	-7.37	0	4	0	43	301.386	3	↓ MOL2 SDF SMILES Flexibase

69142281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethyl-1-piperidyl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone [(2S)-2-ethyl-1-piperidyl]-(5-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	8.24	-7.39	0	4	0	43	301.386	3	↓ MOL2 SDF SMILES Flexibase

62868388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(benzofuran-2-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(benzofuran-2-carbonyl)-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)	2.20	8.31	-50.98	0	5	-1	74	286.307	2	↓ MOL2 SDF SMILES Flexibase

62868389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(benzofuran-2-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(benzofuran-2-carbonyl)-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)	2.20	8.41	-50.97	0	5	-1	74	286.307	2	↓ MOL2 SDF SMILES Flexibase

62951560

Analogs

40292039

Draw Identity 99% 90% 80% 70%

Popular Name: (5-aminobenzofuran-2-yl)-(4-ethyl-4-methyl-1-piperidyl)methanone (5-aminobenzofuran-2-yl)-(4-ethy…

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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	6.29	-7.78	2	4	0	59	286.375	2	↓ MOL2 SDF SMILES Flexibase

69351287

Analogs

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Popular Name: methyl 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)	2.98	7.78	-12.21	0	6	0	69	331.368	4	↓ MOL2 SDF SMILES Flexibase

69351291

Analogs

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Popular Name: methyl 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)	3.74	9.12	-10.15	0	5	0	60	380.238	3	↓ MOL2 SDF SMILES Flexibase

69457714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-(7-methoxy-3-methyl-benzofuran-2-carbonyl)-3-piperidyl]propanamide N-[(3R)-1-(7-methoxy-3-methyl-be…

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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	6.26	-18.41	1	6	0	72	344.411	4	↓ MOL2 SDF SMILES Flexibase

69457716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(7-methoxy-3-methyl-benzofuran-2-carbonyl)-3-piperidyl]propanamide N-[(3S)-1-(7-methoxy-3-methyl-be…

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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	6.18	-18.31	1	6	0	72	344.411	4	↓ MOL2 SDF SMILES Flexibase

69486017

Analogs

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Popular Name: N-[[(3S)-1-(3-methylbenzofuran-2-carbonyl)-3-piperidyl]methyl]butanamide N-[[(3S)-1-(3-methylbenzofuran-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)	3.63	8.45	-11.33	1	5	0	63	342.439	5	↓ MOL2 SDF SMILES Flexibase

69486019

Analogs

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Popular Name: N-[[(3R)-1-(3-methylbenzofuran-2-carbonyl)-3-piperidyl]methyl]butanamide N-[[(3R)-1-(3-methylbenzofuran-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)	3.63	8.34	-11.34	1	5	0	63	342.439	5	↓ MOL2 SDF SMILES Flexibase

69493652

Analogs

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Popular Name: 2-methyl-N-[[(3R)-1-(3-methylbenzofuran-2-carbonyl)-3-piperidyl]methyl]propanamide 2-methyl-N-[[(3R)-1-(3-methylben…

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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)	3.32	8.35	-11.1	1	5	0	63	342.439	4	↓ MOL2 SDF SMILES Flexibase

69493653

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-(3-methylbenzofuran-2-carbonyl)-3-piperidyl]methyl]propanamide 2-methyl-N-[[(3S)-1-(3-methylben…

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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)	3.32	8.24	-11.17	1	5	0	63	342.439	4	↓ MOL2 SDF SMILES Flexibase

69508225

Analogs

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Popular Name: (3S)-1-(7-methoxy-3-methyl-benzofuran-2-carbonyl)piperidine-3-carboxamide (3S)-1-(7-methoxy-3-methyl-benzo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	3.76	-11.9	2	6	0	86	316.357	3	↓ MOL2 SDF SMILES Flexibase

69508227

Analogs

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Popular Name: (3R)-1-(7-methoxy-3-methyl-benzofuran-2-carbonyl)piperidine-3-carboxamide (3R)-1-(7-methoxy-3-methyl-benzo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	3.66	-11.83	2	6	0	86	316.357	3	↓ MOL2 SDF SMILES Flexibase

69558683

Analogs

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Popular Name: [(2R)-1-(3-methylbenzofuran-2-carbonyl)-2-piperidyl]methylurea [(2R)-1-(3-methylbenzofuran-2-ca…

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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)	2.27	4.69	-13.28	3	6	0	89	315.373	3	↓ MOL2 SDF SMILES Flexibase

69558685

Analogs

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Popular Name: [(2S)-1-(3-methylbenzofuran-2-carbonyl)-2-piperidyl]methylurea [(2S)-1-(3-methylbenzofuran-2-ca…

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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)	2.27	4.96	-12.72	3	6	0	89	315.373	3	↓ MOL2 SDF SMILES Flexibase

65513656

Analogs

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Popular Name: 1-(5-chlorobenzofuran-2-carbonyl)piperidine-4-sulfonamide 1-(5-chlorobenzofuran-2-carbonyl…

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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)	1.77	2.6	-17.42	2	6	0	94	342.804	2	↓ MOL2 SDF SMILES Flexibase

65529508

Analogs

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Popular Name: (5-chlorobenzofuran-2-yl)-[4-(dimethylamino)-1-piperidyl]methanone (5-chlorobenzofuran-2-yl)-[4-(di…

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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)	3.01	8.69	-42.83	1	4	1	38	307.801	2	↓ MOL2 SDF SMILES Flexibase

69740609

Analogs

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Popular Name: 1-(benzofuran-2-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide 1-(benzofuran-2-carbonyl)-N-(3-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)	2.07	5.99	-14.33	1	6	0	72	344.411	6	↓ MOL2 SDF SMILES Flexibase

69818076

Analogs

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Popular Name: (3S)-1-(3,7-dimethylbenzofuran-2-carbonyl)-N-methyl-piperidine-3-carboxamide (3S)-1-(3,7-dimethylbenzofuran-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)	2.60	6.63	-10.25	1	5	0	63	314.385	2	↓ MOL2 SDF SMILES Flexibase

69818081

Analogs

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Popular Name: (3R)-1-(3,7-dimethylbenzofuran-2-carbonyl)-N-methyl-piperidine-3-carboxamide (3R)-1-(3,7-dimethylbenzofuran-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)	2.60	6.7	-10.6	1	5	0	63	314.385	2	↓ MOL2 SDF SMILES Flexibase

69896323

Analogs

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Popular Name: [4-(ethoxymethyl)-1-piperidyl]-[3-(methoxymethyl)benzofuran-2-yl]methanone [4-(ethoxymethyl)-1-piperidyl]-[…

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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)	2.96	7.58	-9.92	0	5	0	52	331.412	6	↓ MOL2 SDF SMILES Flexibase

70187599

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(7-bromobenzofuran-2-yl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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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	6.37	-50.37	3	4	1	61	352.252	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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