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ZINC Item

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62029477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(dimethylamino)-3-methyl-phenyl]-N'-[(3-fluorophenyl)methyl]oxamide N-[4-(dimethylamino)-3-methyl-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)	2.24	6.84	-7.24	2	5	0	61	329.375	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.24	6.93	-38.26	3	5	1	63	330.383	5	↓ MOL2 SDF SMILES Flexibase

62029511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-N'-[(3-fluorophenyl)methyl]oxamide N-(3,5-dimethoxyphenyl)-N'-[(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)	1.80	3.56	-9.87	2	6	0	77	332.331	6	↓ MOL2 SDF SMILES Flexibase

62029513

Analogs

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Popular Name: N-(4-ethylphenyl)-N'-[(3-fluorophenyl)methyl]oxamide N-(4-ethylphenyl)-N'-[(3-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)	2.67	6.39	-7.16	2	4	0	58	300.333	5	↓ MOL2 SDF SMILES Flexibase

62029556

Analogs

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Popular Name: N-[4-[ethyl(isopropyl)amino]phenyl]-N'-[(3-fluorophenyl)methyl]oxamide N-[4-[ethyl(isopropyl)amino]phen…

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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)	2.91	7.79	-25.73	3	5	0	63	358.437	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.91	7.51	-7.55	2	5	0	61	357.429	7	↓ MOL2 SDF SMILES Flexibase

62029748

Analogs

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Popular Name: N'-[(3-fluorophenyl)methyl]-N-[3-(methoxymethyl)phenyl]oxamide N'-[(3-fluorophenyl)methyl]-N-[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)	1.69	4.68	-8.5	2	5	0	67	316.332	6	↓ MOL2 SDF SMILES Flexibase

62029785

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)	2.54	6.23	-10.91	2	6	0	85	364.76	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	5.46	-49.98	1	6	-1	91	363.752	6	↓ MOL2 SDF SMILES Flexibase

62029808

Analogs

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Popular Name: N'-[4-(cyanomethyl)phenyl]-N-[(3-fluorophenyl)methyl]oxamide N'-[4-(cyanomethyl)phenyl]-N-[(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)	1.73	6.12	-13.44	2	5	0	82	311.316	5	↓ MOL2 SDF SMILES Flexibase

62029843

Analogs

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Popular Name: N-[2-(difluoromethylsulfonyl)phenyl]-N'-[(3-fluorophenyl)methyl]oxamide N-[2-(difluoromethylsulfonyl)phe…

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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)	1.58	3.75	-11.82	2	6	0	92	386.351	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.76	3.19	-49.46	1	6	-1	99	385.343	6	↓ MOL2 SDF SMILES Flexibase

62032000

Analogs

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Popular Name: N'-[(3-acetamidophenyl)methyl]-N-(4-ethylphenyl)oxamide N'-[(3-acetamidophenyl)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)	1.73	5.22	-12.58	3	6	0	87	339.395	6	↓ MOL2 SDF SMILES Flexibase

62032433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-acetamidophenyl)methyl]-N'-[4-(cyanomethyl)phenyl]oxamide N-[(3-acetamidophenyl)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)	0.78	4.95	-19.63	3	7	0	111	350.378	6	↓ MOL2 SDF SMILES Flexibase

48633959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-N'-(2,3,4,5,6-pentafluorophenyl)oxamide N-[(4-methoxyphenyl)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)	2.21	4.59	-6.63	2	5	0	67	374.265	5	↓ MOL2 SDF SMILES Flexibase

48633971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methyl-phenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(2-chloro-4-methyl-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)	2.73	5.46	-6.94	2	5	0	67	332.787	5	↓ MOL2 SDF SMILES Flexibase

48634000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-chloro-4-fluoro-phenyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(2-chloro-4-fluoro-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)	2.45	4.87	-6.12	2	5	0	67	336.75	5	↓ MOL2 SDF SMILES Flexibase

48634002

Analogs

4866743

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2,6-difluorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(2,6-difluorophenyl)-N-[(4-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)	1.91	4.41	-10.66	2	5	0	67	320.295	5	↓ MOL2 SDF SMILES Flexibase

48634014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethoxy)phenyl]oxamide N-[(4-methoxyphenyl)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)	2.62	3.97	-8.7	2	6	0	77	368.311	7	↓ MOL2 SDF SMILES Flexibase

48634030

Analogs

41222442

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(2-fluoro-4-methyl-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)	2.22	4.97	-7.46	2	5	0	67	316.332	5	↓ MOL2 SDF SMILES Flexibase

48634032

Analogs

41222443

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-cyanophenyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(3-cyanophenyl)-N-[(4-methoxy…

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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)	1.41	4.56	-11.76	2	6	0	91	309.325	5	↓ MOL2 SDF SMILES Flexibase

48634038

Analogs

41222449

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(3-ethylphenyl)-N'-[(4-methoxy…

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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)	2.57	5.62	-7.54	2	5	0	67	312.369	6	↓ MOL2 SDF SMILES Flexibase

48634042

Analogs

9914072

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(2,6-diethylphenyl)-N'-[(4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	7.27	-7.65	2	5	0	67	340.423	7	↓ MOL2 SDF SMILES Flexibase

48634050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(4-methoxyphenyl)methyl]-N-(2-methyl-3-nitro-phenyl)oxamide N'-[(4-methoxyphenyl)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)	1.99	5.66	-9.34	2	8	0	113	343.339	6	↓ MOL2 SDF SMILES Flexibase

48634054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(4-chloro-2-methoxy-5-methyl-p…

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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)	2.72	4.7	-7.38	2	6	0	77	362.813	6	↓ MOL2 SDF SMILES Flexibase

48634056

Analogs

41222453

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(2-fluoro-5-methyl-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)	2.22	4.96	-7.81	2	5	0	67	316.332	5	↓ MOL2 SDF SMILES Flexibase

48634076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-fluoro-4-methoxy-phenyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(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)	1.83	3.55	-11.65	2	6	0	77	332.331	6	↓ MOL2 SDF SMILES Flexibase

48634078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-bromo-4-fluoro-phenyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(2-bromo-4-fluoro-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)	2.58	5.01	-6.06	2	5	0	67	381.201	5	↓ MOL2 SDF SMILES Flexibase

48634084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2,6-dimethyl-phenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(4-bromo-2,6-dimethyl-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)	2.30	6.64	-7.31	2	5	0	67	391.265	5	↓ MOL2 SDF SMILES Flexibase

48634086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[3-(difluoromethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]oxamide N'-[3-(difluoromethoxy)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)	2.27	3.76	-10.86	2	6	0	77	350.321	7	↓ MOL2 SDF SMILES Flexibase

48634091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-[(4-methoxyphenyl)methyl]oxamide N'-(4-chloro-3-fluoro-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)	2.45	4.75	-9.12	2	5	0	67	336.75	5	↓ MOL2 SDF SMILES Flexibase

48634274

Analogs

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Popular Name: N-(2-isopropoxyphenyl)-N'-[(4-methoxyphenyl)methyl]oxamide N-(2-isopropoxyphenyl)-N'-[(4-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)	2.42	5.2	-8.35	2	6	0	77	342.395	7	↓ MOL2 SDF SMILES Flexibase

52817350

Analogs

32142035
32142038

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N'-(4-chlorophenyl)-N-methyl-oxamide N-benzyl-N'-(4-chlorophenyl)-N-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)	2.54	7.55	-6.31	1	4	0	49	302.761	4	↓ MOL2 SDF SMILES Flexibase

52818362

Analogs

32211259

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Popular Name: N'-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxamide N'-(4-chlorophenyl)-N-[(3-chloro…

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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)	2.95	5.91	-6.24	2	4	0	58	323.179	4	↓ MOL2 SDF SMILES Flexibase

52818509

Analogs

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Popular Name: N'-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)oxamide N'-[(3-chlorophenyl)methyl]-N-(4…

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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	4.67	-7.65	2	5	0	67	318.76	5	↓ MOL2 SDF SMILES Flexibase

52834593

Analogs

16592191

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-N'-(4-chlorophenyl)-N-methyl-oxamide N-[(2-bromophenyl)methyl]-N'-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	7.99	-6.65	1	4	0	49	381.657	4	↓ MOL2 SDF SMILES Flexibase

52834595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-N'-(4-methoxyphenyl)-N-methyl-oxamide N-[(2-bromophenyl)methyl]-N'-(4-…

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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	6.76	-8.33	1	5	0	59	377.238	5	↓ MOL2 SDF SMILES Flexibase

52836431

Analogs

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Popular Name: N'-(4-methoxyphenyl)-N-[(1R)-1-(o-tolyl)ethyl]oxamide N'-(4-methoxyphenyl)-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)	2.64	5.51	-7.43	2	5	0	67	312.369	5	↓ MOL2 SDF SMILES Flexibase

52836434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-methoxyphenyl)-N-[(1S)-1-(o-tolyl)ethyl]oxamide N'-(4-methoxyphenyl)-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)	2.64	5.58	-7.57	2	5	0	67	312.369	5	↓ MOL2 SDF SMILES Flexibase

52836615

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N'-(4-methoxyphenyl)-N-methyl-oxamide N-[(3-chlorophenyl)methyl]-N'-(4…

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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	6.84	-9.1	1	5	0	59	332.787	5	↓ MOL2 SDF SMILES Flexibase

52837726

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-N'-(4-chlorophenyl)-N-methyl-oxamide N-[(4-bromophenyl)methyl]-N'-(4-…

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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)	3.35	8.17	-6.52	1	4	0	49	381.657	4	↓ MOL2 SDF SMILES Flexibase

52837729

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-N'-(4-methoxyphenyl)-N-methyl-oxamide N-[(4-bromophenyl)methyl]-N'-(4-…

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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	6.94	-8.08	1	5	0	59	377.238	5	↓ MOL2 SDF SMILES Flexibase

52837734

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methyl-oxamide N'-(4-chlorophenyl)-N-[(4-chloro…

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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)	3.22	8.07	-6.54	1	4	0	49	337.206	4	↓ MOL2 SDF SMILES Flexibase

52837737

Analogs

32199602

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-N'-(4-methoxyphenyl)-N-methyl-oxamide N-[(4-chlorophenyl)methyl]-N'-(4…

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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	6.84	-8.1	1	5	0	59	332.787	5	↓ MOL2 SDF SMILES Flexibase

52837741

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methyl-oxamide N'-(4-chlorophenyl)-N-[(2-chloro…

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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)	3.17	7.91	-6.99	1	4	0	49	337.206	4	↓ MOL2 SDF SMILES Flexibase

52837743

Analogs

32199595
3541040

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Popular Name: N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)-N-methyl-oxamide N-[(2-chlorophenyl)methyl]-N'-(4…

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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)	2.55	6.69	-8.7	1	5	0	59	332.787	5	↓ MOL2 SDF SMILES Flexibase

52838065

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)oxamide N-[(1S)-1-(3-chlorophenyl)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)	2.89	5.51	-7.63	2	5	0	67	332.787	5	↓ MOL2 SDF SMILES Flexibase

52838068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)oxamide N-[(1R)-1-(3-chlorophenyl)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)	2.89	5.51	-7.65	2	5	0	67	332.787	5	↓ MOL2 SDF SMILES Flexibase

52838256

Analogs

16634388

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)oxamide N-[(1S)-1-(2-chlorophenyl)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)	2.87	5.48	-8.11	2	5	0	67	332.787	5	↓ MOL2 SDF SMILES Flexibase

52838260

Analogs

16634388

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)oxamide N-[(1R)-1-(2-chlorophenyl)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)	2.87	5.45	-7.93	2	5	0	67	332.787	5	↓ MOL2 SDF SMILES Flexibase

52841815

Analogs

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Popular Name: N-benzyl-N-(2-dimethylaminoethyl)-N'-(4-methoxyphenyl)oxamide N-benzyl-N-(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)	1.95	8.52	-42.37	2	6	1	63	356.446	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.95	6.09	-7.73	1	6	0	62	355.438	8	↓ MOL2 SDF SMILES Flexibase

52843863

Analogs

32142012
32142035
32142038

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chlorophenyl)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-oxamide N'-(4-chlorophenyl)-N-[(4-dimeth…

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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)	2.65	7.97	-7.29	1	5	0	53	345.83	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.65	8.72	-20.16	2	5	0	54	346.838	5	↓ MOL2 SDF SMILES Flexibase

52852542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]-N'-(4-methoxyphenyl)oxamide N-[(1R)-1-(4-ethylphenyl)-2-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)	3.90	7.51	-6.64	2	5	0	67	354.45	7	↓ MOL2 SDF SMILES Flexibase

52852544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-N'-(4-methoxyphenyl)oxamide N-[(1S)-1-(4-ethylphenyl)-2-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)	3.90	7.52	-6.73	2	5	0	67	354.45	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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