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52881252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide (2R)-2-amino-2-phenyl-N-[[(2S)-t…

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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)	1.23	2.29	-7.52	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.23	2.61	-47.8	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52881253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide (2S)-2-amino-2-phenyl-N-[[(2S)-t…

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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)	1.23	2.36	-8.17	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.23	2.61	-49.15	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52881254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide (2R)-2-amino-2-phenyl-N-[[(2R)-t…

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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)	1.23	2.32	-7.6	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.23	2.63	-49.08	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52881255

Analogs

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Popular Name: (2S)-2-amino-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide (2S)-2-amino-2-phenyl-N-[[(2R)-t…

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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)	1.23	2.39	-7.95	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.23	2.63	-47.51	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52881577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]propanamide (2R)-2-amino-2-phenyl-N-[(1S)-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)	1.56	3.68	-7.65	3	4	0	64	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	3.94	-52.13	4	4	1	66	263.361	4	↓ MOL2 SDF SMILES Flexibase

52881578

Analogs

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Popular Name: (2R)-2-amino-2-phenyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]propanamide (2R)-2-amino-2-phenyl-N-[(1R)-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)	1.56	3.16	-7.18	3	4	0	64	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	3.4	-46.93	4	4	1	66	263.361	4	↓ MOL2 SDF SMILES Flexibase

52881579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]propanamide (2R)-2-amino-2-phenyl-N-[(1S)-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)	1.56	3.14	-7.15	3	4	0	64	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	3.39	-48.09	4	4	1	66	263.361	4	↓ MOL2 SDF SMILES Flexibase

52881580

Analogs

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Popular Name: (2R)-2-amino-2-phenyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]propanamide (2R)-2-amino-2-phenyl-N-[(1R)-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)	1.56	3.68	-7.24	3	4	0	64	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	3.92	-49.22	4	4	1	66	263.361	4	↓ MOL2 SDF SMILES Flexibase

52882811

Analogs

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Popular Name: (2R)-2-amino-N-methyl-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide (2R)-2-amino-N-methyl-2-phenyl-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)	1.48	4.73	-7.72	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.48	4.39	-41.6	3	4	1	57	263.361	4	↓ MOL2 SDF SMILES Flexibase

52882812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-methyl-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide (2S)-2-amino-N-methyl-2-phenyl-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)	1.48	4.42	-7.69	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.48	4.65	-47.29	3	4	1	57	263.361	4	↓ MOL2 SDF SMILES Flexibase

52882813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-methyl-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide (2R)-2-amino-N-methyl-2-phenyl-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)	1.48	5.07	-10.23	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.48	5.12	-43.37	3	4	1	57	263.361	4	↓ MOL2 SDF SMILES Flexibase

52882814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-methyl-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide (2S)-2-amino-N-methyl-2-phenyl-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)	1.48	5.11	-10.1	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.48	5.32	-49.46	3	4	1	57	263.361	4	↓ MOL2 SDF SMILES Flexibase

52882819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-ethyl-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide (2R)-2-amino-N-ethyl-2-phenyl-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)	1.85	5.51	-9.56	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	6.4	-45.41	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52882820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-ethyl-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide (2R)-2-amino-N-ethyl-2-phenyl-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)	1.85	5.61	-9.44	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	5.73	-40.35	3	4	0	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52882821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-ethyl-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide (2S)-2-amino-N-ethyl-2-phenyl-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)	1.85	5.94	-10.06	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	6.2	-46.57	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52882822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-ethyl-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide (2S)-2-amino-N-ethyl-2-phenyl-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)	1.85	5.38	-7.59	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	5.65	-44.31	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52922486

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]acetamide 2-(3-aminophenyl)-N-[(1S)-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)	0.98	3.79	-9.02	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase

52922488

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]acetamide 2-(3-aminophenyl)-N-[(1R)-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)	0.98	3.26	-8.82	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase

52922490

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]acetamide 2-(3-aminophenyl)-N-[(1S)-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)	0.98	3.25	-8.75	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase

52922491

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]acetamide 2-(3-aminophenyl)-N-[(1R)-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)	0.98	3.78	-8.79	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase

52923399

Analogs

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Popular Name: 2-(3-aminophenyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-aminophenyl)-N-methyl-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)	0.89	5.01	-12.09	2	4	0	56	248.326	4	↓ MOL2 SDF SMILES Flexibase

52923400

Analogs

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Popular Name: 2-(3-aminophenyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-aminophenyl)-N-methyl-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)	0.89	4.69	-9.45	2	4	0	56	248.326	4	↓ MOL2 SDF SMILES Flexibase

52923404

Analogs

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Popular Name: 2-(3-aminophenyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-aminophenyl)-N-ethyl-N-[[(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)	1.27	5.93	-11.52	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

52923405

Analogs

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Popular Name: 2-(3-aminophenyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-aminophenyl)-N-ethyl-N-[[(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)	1.27	5.61	-9.01	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

53436949

Analogs

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Popular Name: N-ethyl-2-(2-nitrophenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide N-ethyl-2-(2-nitrophenyl)-N-[[(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)	2.13	8.14	-14.47	0	6	0	75	292.335	6	↓ MOL2 SDF SMILES Flexibase

53437125

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3,4-dichlorophenyl)-N-ethyl-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)	3.50	9.04	-11.11	0	3	0	30	316.228	5	↓ MOL2 SDF SMILES Flexibase

57984313

Analogs

25396488
25396494

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Popular Name: 2-(2-bromo-4,5-diethoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(2-bromo-4,5-diethoxy-phenyl)-…

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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	6.11	-11.08	1	5	0	57	386.286	8	↓ MOL2 SDF SMILES Flexibase

57984315

Analogs

25396488
25396494

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4,5-diethoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(2-bromo-4,5-diethoxy-phenyl)-…

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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	6.15	-11.41	1	5	0	57	386.286	8	↓ MOL2 SDF SMILES Flexibase

14231235

Analogs

14231238

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Popular Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-fluoro-4-methoxy-phenyl)-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)	1.75	3.9	-13.11	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

14231238

Analogs

14231235

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Popular Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-fluoro-4-methoxy-phenyl)-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)	1.75	3.96	-12.76	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

69520515

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	2.52	6.27	-7.89	2	6	0	77	348.443	7	↓ MOL2 SDF SMILES Flexibase

69520520

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	2.52	5.72	-7.87	2	6	0	77	348.443	7	↓ MOL2 SDF SMILES Flexibase

69520524

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	2.52	5.73	-7.79	2	6	0	77	348.443	7	↓ MOL2 SDF SMILES Flexibase

69520526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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)	2.52	6.25	-7.78	2	6	0	77	348.443	7	↓ MOL2 SDF SMILES Flexibase

55413490

Analogs

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Popular Name: N-[4-[2-[2-dimethylaminoethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl]phenyl]butanamid N-[4-[2-[2-dimethylaminoethyl-[[…

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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)	2.49	9.52	-56.07	2	6	1	63	376.521	10	↓ MOL2 SDF SMILES Flexibase

55413492

Analogs

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Popular Name: N-[4-[2-[2-dimethylaminoethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl]phenyl]butanamid N-[4-[2-[2-dimethylaminoethyl-[[…

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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)	2.49	9.87	-61.25	2	6	1	63	376.521	10	↓ MOL2 SDF SMILES Flexibase

48952342

Analogs

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Popular Name: 2-(2-aminophenyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(2-aminophenyl)-N-ethyl-N-[[(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)	1.65	6.03	-10.76	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

48952344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(2-aminophenyl)-N-ethyl-N-[[(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)	1.65	5.72	-8.35	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

48952346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-aminophenyl)-N-ethyl-N-[[(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)	1.29	5.94	-11.41	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

48952348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(4-aminophenyl)-N-ethyl-N-[[(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)	1.29	5.63	-8.93	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

48966006

Analogs

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Popular Name: (2R)-2-chloro-N-ethyl-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide (2R)-2-chloro-N-ethyl-2-phenyl-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)	2.60	8.46	-10.91	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

48966009

Analogs

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Popular Name: (2R)-2-chloro-N-ethyl-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide (2R)-2-chloro-N-ethyl-2-phenyl-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)	2.60	8.16	-8.13	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

48966012

Analogs

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Popular Name: (2S)-2-chloro-N-ethyl-2-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide (2S)-2-chloro-N-ethyl-2-phenyl-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)	2.60	8.67	-10.72	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

48966016

Analogs

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Popular Name: (2S)-2-chloro-N-ethyl-2-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide (2S)-2-chloro-N-ethyl-2-phenyl-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)	2.60	8.09	-10.78	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

48966838

Analogs

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Popular Name: N-ethyl-2-(3-hydroxyphenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide N-ethyl-2-(3-hydroxyphenyl)-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)	1.72	5.21	-11.9	1	4	0	50	263.337	5	↓ MOL2 SDF SMILES Flexibase

48966840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(3-hydroxyphenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide N-ethyl-2-(3-hydroxyphenyl)-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)	1.72	4.89	-9.46	1	4	0	50	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275561

Analogs

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Popular Name: 2-(3-chlorophenyl)-2,2-difluoro-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-chlorophenyl)-2,2-difluoro-…

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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)	2.68	5.19	-6.63	1	3	0	38	289.709	4	↓ MOL2 SDF SMILES Flexibase

49275564

Analogs

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Popular Name: 2-(3-chlorophenyl)-2,2-difluoro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-(3-chlorophenyl)-2,2-difluoro-…

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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)	2.68	5.23	-7.04	1	3	0	38	289.709	4	↓ MOL2 SDF SMILES Flexibase

49288619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-2,2-difluoro-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]acetamide 2-(3-chlorophenyl)-2,2-difluoro-…

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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	6.53	-5.3	1	3	0	38	303.736	4	↓ MOL2 SDF SMILES Flexibase

49288622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-2,2-difluoro-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]acetamide 2-(3-chlorophenyl)-2,2-difluoro-…

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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	6	-5.58	1	3	0	38	303.736	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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