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ZINC Item

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35626213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-(2-furylmethyl)-2-[4-[(1S…

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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)	1.68	4.12	-12.25	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-(2-furylmethyl)-2-[4-[(1R…

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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)	1.68	4.1	-12.44	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-(2-furylmethyl)-2-[4-[(1S…

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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)	1.68	4.08	-12.28	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-(2-furylmethyl)-2-[4-[(1R…

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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)	1.68	4.06	-12.26	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626889

Analogs

19932793
19932795

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-(2-furylmethyl)-2-[2-[(1S…

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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)	1.64	4.19	-12.11	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626890

Analogs

19932793
19932795

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-(2-furylmethyl)-2-[2-[(1R…

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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)	1.64	4.19	-12.4	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626891

Analogs

19932793
19932795

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-(2-furylmethyl)-2-[2-[(1S…

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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)	1.64	4.17	-12.24	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35626892

Analogs

19932793
19932795

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-(2-furylmethyl)-2-[2-[(1R…

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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)	1.64	4.16	-12.1	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35627661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-(2-furylmethyl)-2-[3-[(1S…

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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)	1.66	4.12	-13.04	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35627662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-(2-furylmethyl)-2-[3-[(1R…

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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)	1.66	4.1	-12.86	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35627663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-(2-furylmethyl)-2-[3-[(1S…

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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)	1.66	4.08	-12.65	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

35627664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-(2-furylmethyl)-2-[3-[(1R…

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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)	1.66	4.05	-12.69	2	5	0	72	289.331	6	↓ MOL2 SDF SMILES Flexibase

40339166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenoxy)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]acetamide 2-(2-aminophenoxy)-N-[(1R)-1-(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)	1.97	4.91	-10.05	3	5	0	77	274.32	5	↓ MOL2 SDF SMILES Flexibase

40339168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenoxy)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]acetamide 2-(2-aminophenoxy)-N-[(1S)-1-(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)	1.97	4.91	-10.04	3	5	0	77	274.32	5	↓ MOL2 SDF SMILES Flexibase

22680415

Analogs

25456661

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-formyl-phenoxy)-N-(2-furylmethyl)acetamide 2-(2-bromo-4-formyl-phenoxy)-N-(…

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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)	2.28	5.68	-21.66	1	5	0	69	338.157	6	↓ MOL2 SDF SMILES Flexibase

13014566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5-trichloro-6-[2-(2-furylmethylamino)-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-(2-furylmet…

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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)	3.15	6.59	-54.16	1	6	-1	92	377.587	6	↓ MOL2 SDF SMILES Flexibase

13411308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]benzoic 2-[2-(2-furylmethyl-(2,2,2-trifl…

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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	8.77	-77.71	0	6	-1	83	356.276	8	↓ MOL2 SDF SMILES Flexibase

13411497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[(1R)-1-(2-furyl)ethyl]ami…

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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)	2.26	6.25	-71.64	1	6	-1	92	288.279	6	↓ MOL2 SDF SMILES Flexibase

13411500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[(1S)-1-(2-furyl)ethyl]ami…

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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)	2.26	6.25	-71.62	1	6	-1	92	288.279	6	↓ MOL2 SDF SMILES Flexibase

13413483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]benzoic 4-[2-(2-furylmethyl-(2,2,2-trifl…

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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	8.28	-59.26	0	6	-1	83	356.276	8	↓ MOL2 SDF SMILES Flexibase

13413669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[(1R)-1-(2-furyl)ethyl]ami…

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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	5.76	-55.28	1	6	-1	92	288.279	6	↓ MOL2 SDF SMILES Flexibase

13413672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[(1S)-1-(2-furyl)ethyl]ami…

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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	5.76	-55.28	1	6	-1	92	288.279	6	↓ MOL2 SDF SMILES Flexibase

13419207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]benzoic 3-[2-(2-furylmethyl-(2,2,2-trifl…

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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)	2.81	8.27	-66.98	0	6	-1	83	356.276	8	↓ MOL2 SDF SMILES Flexibase

13419270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[(1R)-1-(2-furyl)ethyl]ami…

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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	5.75	-62.24	1	6	-1	92	288.279	6	↓ MOL2 SDF SMILES Flexibase

13419271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[(1S)-1-(2-furyl)ethyl]ami…

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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	5.75	-62.26	1	6	-1	92	288.279	6	↓ MOL2 SDF SMILES Flexibase

13419500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-furylmethylamino)-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-(2-furylmethylamino)-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)	1.26	4.71	-57.08	1	7	-1	101	304.278	7	↓ MOL2 SDF SMILES Flexibase

13420247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-(2-furylmethyl-(2,2,2-trifl…

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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)	2.43	8.03	-57.83	0	7	-1	92	386.302	9	↓ MOL2 SDF SMILES Flexibase

13420313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[(1S)-1-(2-furyl)ethyl]ami…

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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)	1.82	5.51	-56.4	1	7	-1	101	318.305	7	↓ MOL2 SDF SMILES Flexibase

13420314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[(1R)-1-(2-furyl)ethyl]ami…

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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)	1.82	5.51	-56.39	1	7	-1	101	318.305	7	↓ MOL2 SDF SMILES Flexibase

13420670

Analogs

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Popular Name: 2-[4-[2-(2-furylmethylamino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-(2-furylmethylamino)-2-o…

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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)	1.18	5.75	-54.06	1	6	-1	92	288.279	7	↓ MOL2 SDF SMILES Flexibase

13421359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-(2-furylmethyl-(2,2,2-tr…

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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	9.08	-58.31	0	6	-1	83	370.303	9	↓ MOL2 SDF SMILES Flexibase

13421418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(1R)-1-(2-furyl)ethyl]…

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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)	1.74	6.56	-53.49	1	6	-1	92	302.306	7	↓ MOL2 SDF SMILES Flexibase

13421419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(1S)-1-(2-furyl)ethyl]…

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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)	1.74	6.56	-53.47	1	6	-1	92	302.306	7	↓ MOL2 SDF SMILES Flexibase

13421738

Analogs

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Popular Name: 4-[2-(2-furylmethylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(2-furylmethylamino)-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)	1.59	5.07	-129.36	1	8	-2	132	317.253	7	↓ MOL2 SDF SMILES Flexibase

13422521

Analogs

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Popular Name: 4-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(2-furylmethyl-(2,2,2-trifl…

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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	8.4	-134.33	0	8	-2	123	399.277	9	↓ MOL2 SDF SMILES Flexibase

13422591

Analogs

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Popular Name: 4-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(1R)-1-(2-furyl)ethyl]ami…

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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	5.88	-128.74	1	8	-2	132	331.28	7	↓ MOL2 SDF SMILES Flexibase

13422592

Analogs

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Popular Name: 4-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(1S)-1-(2-furyl)ethyl]ami…

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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	5.88	-128.73	1	8	-2	132	331.28	7	↓ MOL2 SDF SMILES Flexibase

13422929

Analogs

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Popular Name: 3,5-dichloro-4-[2-(2-furylmethylamino)-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-(2-furylmethyl…

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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	6.15	-46.95	1	6	-1	92	343.142	6	↓ MOL2 SDF SMILES Flexibase

13423583

Analogs

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Popular Name: 3,5-dichloro-4-[2-(2-furylmethyl-(2,2,2-trifluoroethyl)amino)-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-(2-furylmethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	9.47	-50.46	0	6	-1	83	425.166	8	↓ MOL2 SDF SMILES Flexibase

13423642

Analogs

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Popular Name: 3,5-dichloro-4-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[[(1R)-1-(2-fu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	6.95	-46.37	1	6	-1	92	357.169	6	↓ MOL2 SDF SMILES Flexibase

13423643

Analogs

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Popular Name: 3,5-dichloro-4-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[[(1S)-1-(2-fu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	6.96	-46.38	1	6	-1	92	357.169	6	↓ MOL2 SDF SMILES Flexibase

25465074

Analogs

32942958
7889247
7889245
17304927

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Popular Name: (2R)-2-(3-fluorophenoxy)-N-[(1R)-1-(2-furyl)ethyl]propanamide (2R)-2-(3-fluorophenoxy)-N-[(1R)…

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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	6.77	-13.53	1	4	0	51	277.295	5	↓ MOL2 SDF SMILES Flexibase

25465078

Analogs

32942958
7889247
7889245
17304927

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Popular Name: (2R)-2-(3-fluorophenoxy)-N-[(1S)-1-(2-furyl)ethyl]propanamide (2R)-2-(3-fluorophenoxy)-N-[(1S)…

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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	6.78	-10.7	1	4	0	51	277.295	5	↓ MOL2 SDF SMILES Flexibase

25465083

Analogs

32942958
7889247
7889245
17304927

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Popular Name: (2S)-2-(3-fluorophenoxy)-N-[(1R)-1-(2-furyl)ethyl]propanamide (2S)-2-(3-fluorophenoxy)-N-[(1R)…

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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	6.83	-13.58	1	4	0	51	277.295	5	↓ MOL2 SDF SMILES Flexibase

25465088

Analogs

32942958
7889247
7889245
17304927

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-(2-furyl)ethyl]propanamide (2S)-2-(3-fluorophenoxy)-N-[(1S)…

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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	6.82	-13.56	1	4	0	51	277.295	5	↓ MOL2 SDF SMILES Flexibase

57957297

Analogs

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Popular Name: 2-(2-chloro-4-cyano-phenoxy)-N-(2-furylmethyl)-N-(2,2,2-trifluoroethyl)acetamide 2-(2-chloro-4-cyano-phenoxy)-N-(…

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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	9.57	-17.01	0	5	0	66	372.73	7	↓ MOL2 SDF SMILES Flexibase

58343606

Analogs

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Popular Name: 2-(4-cyano-2-methyl-phenoxy)-N-(2-furylmethyl)acetamide 2-(4-cyano-2-methyl-phenoxy)-N-(…

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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)	1.89	6.43	-13.85	1	5	0	75	270.288	5	↓ MOL2 SDF SMILES Flexibase

59012075

Analogs

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Popular Name: 2-(2-fluoro-4-nitro-phenoxy)-N-(2-furylmethyl)-N-(2,2,2-trifluoroethyl)acetamide 2-(2-fluoro-4-nitro-phenoxy)-N-(…

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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	9.42	-18.27	0	7	0	89	376.262	8	↓ MOL2 SDF SMILES Flexibase

59012672

Analogs

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Popular Name: N-(2-furylmethyl)-2-(2-methyl-3-nitro-phenoxy)-N-(2,2,2-trifluoroethyl)acetamide N-(2-furylmethyl)-2-(2-methyl-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	10.03	-20.6	0	7	0	89	372.299	8	↓ MOL2 SDF SMILES Flexibase

14241935

Analogs

14241936

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Popular Name: 5-chloro-2-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethoxy]benzamide 5-chloro-2-[2-[[(1R)-1-(2-furyl)…

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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)	2.29	4.44	-19.7	3	6	0	95	322.748	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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