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ZINC Item

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32071363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-fluorophenoxy)propyl]-2-hydroxy-4-methoxy-N-methyl-benzamide N-[3-(4-fluorophenoxy)propyl]-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)	3.54	6.6	-17.57	1	5	0	59	333.359	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.54	7.61	-62.85	0	5	-1	62	332.351	7	↓ MOL2 SDF SMILES Flexibase

36111945

Analogs

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Popular Name: N-[3-(4-fluorophenoxy)propyl]-2,6-dimethoxy-benzamide N-[3-(4-fluorophenoxy)propyl]-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)	3.26	5.61	-14.24	1	5	0	57	333.359	8	↓ MOL2 SDF SMILES Flexibase

36111971

Analogs

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Popular Name: 2-chloro-6-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide 2-chloro-6-fluoro-N-[3-(4-fluoro…

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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)	3.99	7.39	-11.37	1	3	0	38	325.742	6	↓ MOL2 SDF SMILES Flexibase

56670898

Analogs

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Popular Name: N-[(2S)-3-(3-fluorophenoxy)-2-hydroxy-propyl]-2,3-dimethyl-benzamide N-[(2S)-3-(3-fluorophenoxy)-2-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	5.25	-10.63	2	4	0	59	317.36	6	↓ MOL2 SDF SMILES Flexibase

56670900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-3-(3-fluorophenoxy)-2-hydroxy-propyl]-2,3-dimethyl-benzamide N-[(2R)-3-(3-fluorophenoxy)-2-hy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	5.19	-10.76	2	4	0	59	317.36	6	↓ MOL2 SDF SMILES Flexibase

56671439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-fluoro-N-[(2R)-3-(3-fluorophenoxy)-2-hydroxy-propyl]benzamide 2-chloro-4-fluoro-N-[(2R)-3-(3-f…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	4.53	-11.14	2	4	0	59	341.741	6	↓ MOL2 SDF SMILES Flexibase

56671442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-fluoro-N-[(2S)-3-(3-fluorophenoxy)-2-hydroxy-propyl]benzamide 2-chloro-4-fluoro-N-[(2S)-3-(3-f…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	4.58	-11.03	2	4	0	59	341.741	6	↓ MOL2 SDF SMILES Flexibase

58344229

Analogs

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Popular Name: N-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-methyl-3-nitro-benzamide N-[(2S)-3-(4-fluorophenoxy)-2-hy…

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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)	2.67	5.34	-16.86	2	7	0	104	348.33	7	↓ MOL2 SDF SMILES Flexibase

58344230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-methyl-3-nitro-benzamide N-[(2R)-3-(4-fluorophenoxy)-2-hy…

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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)	2.67	5.29	-16.98	2	7	0	104	348.33	7	↓ MOL2 SDF SMILES Flexibase

59817585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzamide 2-chloro-N-[3-[4-cyano-3-(triflu…

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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)	4.23	9.39	-15.26	1	7	0	108	427.766	8	↓ MOL2 SDF SMILES Flexibase

59817774

Analogs

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Popular Name: 2-fluoro-N-[3-[2-fluoro-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzamide 2-fluoro-N-[3-[2-fluoro-4-(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)	4.12	8.84	-13.24	1	6	0	84	404.291	8	↓ MOL2 SDF SMILES Flexibase

59817795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzamide 2-chloro-N-[3-[2,6-dichloro-4-(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)	5.75	10.43	-9.17	1	6	0	84	471.646	8	↓ MOL2 SDF SMILES Flexibase

59817850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	4.20	9.8	-13.11	1	8	0	110	406.822	10	↓ MOL2 SDF SMILES Flexibase

59817932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-[2-chloro-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzamide 2-chloro-N-[3-[2-chloro-4-(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)	5.15	9.75	-11.06	1	6	0	84	437.201	8	↓ MOL2 SDF SMILES Flexibase

59817985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3,4-dichlorophenoxy)propyl]-2-fluoro-5-nitro-benzamide N-[3-(3,4-dichlorophenoxy)propyl…

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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)	4.42	8.74	-12.09	1	6	0	84	387.194	7	↓ MOL2 SDF SMILES Flexibase

59818243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide N-[3-[4-cyano-3-(trifluoromethyl…

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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)	3.71	8.95	-16.81	1	7	0	108	411.311	8	↓ MOL2 SDF SMILES Flexibase

59818278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-nitro-N-[3-[3-(trifluoromethyl)phenoxy]propyl]benzamide 2-chloro-5-nitro-N-[3-[3-(triflu…

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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	9.22	-11.04	1	6	0	84	402.756	8	↓ MOL2 SDF SMILES Flexibase

59818357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide N-[3-[3,5-bis(trifluoromethyl)ph…

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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)	4.85	9.78	-11.89	1	6	0	84	454.298	9	↓ MOL2 SDF SMILES Flexibase

59818492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-nitro-N-(3-phenoxypropyl)benzamide 2-fluoro-5-nitro-N-(3-phenoxypro…

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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)	3.13	7.76	-11.68	1	6	0	84	318.304	7	↓ MOL2 SDF SMILES Flexibase

59818643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-nitro-N-[3-[3-(trifluoromethyl)phenoxy]propyl]benzamide 2-fluoro-5-nitro-N-[3-[3-(triflu…

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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)	4.00	8.78	-12.57	1	6	0	84	386.301	8	↓ MOL2 SDF SMILES Flexibase

59818676

Analogs

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Popular Name: 2-chloro-N-[3-[2-fluoro-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzamide 2-chloro-N-[3-[2-fluoro-4-(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)	4.63	9.28	-11.71	1	6	0	84	420.746	8	↓ MOL2 SDF SMILES Flexibase

59818697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-(3,4-dichlorophenoxy)propyl]-5-nitro-benzamide 2-chloro-N-[3-(3,4-dichloropheno…

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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)	4.93	9.18	-10.56	1	6	0	84	403.649	7	↓ MOL2 SDF SMILES Flexibase

59818720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]propyl]-2-fluoro-5-nitro-benzamide N-[3-[2,6-dichloro-4-(trifluorom…

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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)	5.24	10	-10.8	1	6	0	84	455.191	8	↓ MOL2 SDF SMILES Flexibase

59818840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-2-chloro-5-nitro-benzamide N-[3-[3,5-bis(trifluoromethyl)ph…

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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)	5.37	10.22	-10.33	1	6	0	84	470.753	9	↓ MOL2 SDF SMILES Flexibase

61312906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]benzamide N-methyl-N-[3-(3-methylsulfonylp…

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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)	1.70	6.29	-21.09	0	5	0	64	347.436	7	↓ MOL2 SDF SMILES Flexibase

14013883

Analogs

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Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-[3-(3-methylphenoxy)propyl]benzamide 4-(2-amino-2-oxo-ethoxy)-N-[3-(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)	2.30	5.08	-20.74	3	6	0	91	342.395	9	↓ MOL2 SDF SMILES Flexibase

14016663

Analogs

31365368

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Popular Name: 3,4-dimethyl-N-(3-phenoxypropyl)-5-sulfamoyl-benzamide 3,4-dimethyl-N-(3-phenoxypropyl)…

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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)	2.53	3.24	-19.22	3	6	0	98	362.451	7	↓ MOL2 SDF SMILES Flexibase

4550618

Analogs

4550619

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-hydroxy-3-(4-methoxyphenoxy)-propyl]-4-methoxy-3-nitro-benzamide N-[2-hydroxy-3-(4-methoxyphenoxy…

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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)	2.17	-2.19	-20.37	2	9	0	122	376.365	9	↓ MOL2 SDF SMILES Flexibase

4550619

Analogs

4550618

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Popular Name: N-[2-hydroxy-3-(4-methoxyphenoxy)-propyl]-4-methoxy-3-nitro-benzamide N-[2-hydroxy-3-(4-methoxyphenoxy…

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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)	2.17	-2.12	-20.24	2	9	0	122	376.365	9	↓ MOL2 SDF SMILES Flexibase

66321434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-methyl-benzamide 2-hydroxy-N-[(2R)-2-hydroxy-3-(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)	3.50	3.78	-12.31	3	5	0	79	315.369	6	↓ MOL2 SDF SMILES Flexibase

66321436

Analogs

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Popular Name: 2-hydroxy-N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-methyl-benzamide 2-hydroxy-N-[(2S)-2-hydroxy-3-(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)	3.50	3.83	-12.16	3	5	0	79	315.369	6	↓ MOL2 SDF SMILES Flexibase

66321599

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]benzamide 3-chloro-4-hydroxy-N-[(2R)-2-hyd…

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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	2.28	-12.46	3	5	0	79	335.787	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.98	3.05	-43.53	2	5	-1	82	334.779	6	↓ MOL2 SDF SMILES Flexibase

66321600

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]benzamide 3-chloro-4-hydroxy-N-[(2S)-2-hyd…

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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	2.33	-12.36	3	5	0	79	335.787	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.98	3.1	-43.44	2	5	-1	82	334.779	6	↓ MOL2 SDF SMILES Flexibase

69493814

Analogs

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Popular Name: 2-chloro-4-fluoro-N-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]benzamide 2-chloro-4-fluoro-N-[(2R)-3-(4-f…

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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	4.54	-11.27	2	4	0	59	341.741	6	↓ MOL2 SDF SMILES Flexibase

69493816

Analogs

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Popular Name: 2-chloro-4-fluoro-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]benzamide 2-chloro-4-fluoro-N-[(2S)-3-(4-f…

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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	4.59	-11.13	2	4	0	59	341.741	6	↓ MOL2 SDF SMILES Flexibase

55036004

Analogs

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Popular Name: N-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(propanoylamino)benzamide N-[(2S)-2-hydroxy-3-(3-methoxyph…

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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	2.97	-22.08	3	7	0	97	372.421	9	↓ MOL2 SDF SMILES Flexibase

55036006

Analogs

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Popular Name: N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(propanoylamino)benzamide N-[(2R)-2-hydroxy-3-(3-methoxyph…

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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	2.92	-22.17	3	7	0	97	372.421	9	↓ MOL2 SDF SMILES Flexibase

66922454

Analogs

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Popular Name: 4-(diethylamino)-N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]benzamide 4-(diethylamino)-N-[(2S)-2-hydro…

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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)	3.45	6.92	-10.85	2	5	0	62	356.466	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.45	7.02	-30.25	3	5	0	63	357.474	9	↓ MOL2 SDF SMILES Flexibase

66922455

Analogs

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Popular Name: 4-(diethylamino)-N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]benzamide 4-(diethylamino)-N-[(2R)-2-hydro…

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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)	3.45	6.87	-10.9	2	5	0	62	356.466	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.45	6.97	-30.31	3	5	0	63	357.474	9	↓ MOL2 SDF SMILES Flexibase

65730107

Analogs

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Popular Name: N1-[3-(3-chlorophenoxy)propyl]-N1-methyl-terephthalamide N1-[3-(3-chlorophenoxy)propyl]-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)	2.33	6.04	-15.32	2	5	0	73	346.814	7	↓ MOL2 SDF SMILES Flexibase

67146025

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]benzamide 3-chloro-4-hydroxy-N-[3-(4-metho…

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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)	3.53	3.97	-13.3	2	5	0	68	335.787	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.53	4.75	-43.5	1	5	-1	71	334.779	7	↓ MOL2 SDF SMILES Flexibase

67146159

Analogs

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Popular Name: 3-acetamido-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-methyl-benzamide 3-acetamido-N-[(2S)-3-(4-fluorop…

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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)	1.93	3.8	-20.49	3	6	0	88	360.385	7	↓ MOL2 SDF SMILES Flexibase

67146160

Analogs

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Popular Name: 3-acetamido-N-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-methyl-benzamide 3-acetamido-N-[(2R)-3-(4-fluorop…

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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)	1.93	3.75	-20.63	3	6	0	88	360.385	7	↓ MOL2 SDF SMILES Flexibase

67147119

Analogs

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Popular Name: 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]benzamide 3-(dimethylamino)-N-[(2S)-3-(4-f…

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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)	2.41	4.41	-11.66	2	5	0	62	332.375	7	↓ MOL2 SDF SMILES Flexibase

67147120

Analogs

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Popular Name: 3-(dimethylamino)-N-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]benzamide 3-(dimethylamino)-N-[(2R)-3-(4-f…

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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)	2.41	4.36	-11.74	2	5	0	62	332.375	7	↓ MOL2 SDF SMILES Flexibase

67147533

Analogs

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Popular Name: 2,5-difluoro-N-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]benzamide 2,5-difluoro-N-[(2R)-3-(4-fluoro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	4.11	-12.06	2	4	0	59	325.286	6	↓ MOL2 SDF SMILES Flexibase

67147534

Analogs

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Popular Name: 2,5-difluoro-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]benzamide 2,5-difluoro-N-[(2S)-3-(4-fluoro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	4.16	-11.97	2	4	0	59	325.286	6	↓ MOL2 SDF SMILES Flexibase

67473878

Analogs

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Popular Name: 4-carbamothioyl-N-[3-(4-methoxyphenoxy)propyl]benzamide 4-carbamothioyl-N-[3-(4-methoxyp…

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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)	2.94	5.5	-18.09	3	5	0	74	344.436	8	↓ MOL2 SDF SMILES Flexibase

37839703

Analogs

31365505
35360646
31365531
20228917

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-methyl-N-(3-phenoxypropyl)benzamide 2-amino-N-methyl-N-(3-phenoxypro…

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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	6.85	-10.12	2	4	0	56	284.359	6	↓ MOL2 SDF SMILES Flexibase

67955643

Analogs

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Popular Name: 2,6-dihydroxy-N-(3-phenoxypropyl)benzamide 2,6-dihydroxy-N-(3-phenoxypropyl…

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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	1.25	-12.81	3	5	0	79	287.315	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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