ZINC 12

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	5.75	-40.05	4	5	1	75	370.876	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.35	4.96	-57.7	3	5	0	81	369.868	4	↓ MOL2 SDF SMILES Flexibase

52913674

Analogs

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Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-[(1-ethyl-4-piperidyl)methyl]oxamide N'-(4-chloro-3-fluoro-phenyl)-N-…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENV-1-V	Envelope Glycoprotein Gp160 (cluster #1 Of 2), Viral	Viruses	3400	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ENV_HV1Y2	P35961	Envelope Glycoprotein Gp160, Hv1y2	3400	0.33	Binding ≤ 10μM

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	6.34	-40.68	3	5	1	63	342.822	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	5.54	-57.73	2	5	0	69	341.814	5	↓ MOL2 SDF SMILES Flexibase

22998963

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-(4-nitrophenyl)oxamide N-[(1-methyl-4-piperidyl)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)	0.98	5.79	-46.55	3	8	1	108	321.357	5	↓ MOL2 SDF SMILES Flexibase

22998969

Analogs

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Popular Name: N'-(2,5-dimethoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2,5-dimethoxyphenyl)-N-[(1-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)	1.07	3.87	-43.31	3	7	1	81	336.412	6	↓ MOL2 SDF SMILES Flexibase

22998975

Analogs

44518389

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Popular Name: N'-(4-methoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(4-methoxyphenyl)-N-[(1-methy…

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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)	1.08	4.42	-42.9	3	6	1	72	306.386	5	↓ MOL2 SDF SMILES Flexibase

22998977

Analogs

44518398
44518747

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Popular Name: N'-(4-chlorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(4-chlorophenyl)-N-[(1-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)	1.70	5.64	-41.74	3	5	1	63	310.805	4	↓ MOL2 SDF SMILES Flexibase

22998979

Analogs

44518403
44518750

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-(p-tolyl)oxamide N'-[(1-methyl-4-piperidyl)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)	1.47	5.78	-41.63	3	5	1	63	290.387	4	↓ MOL2 SDF SMILES Flexibase

22998987

Analogs

44518401
44518748

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Popular Name: N'-(3-chlorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3-chlorophenyl)-N-[(1-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)	1.68	5.64	-42.29	3	5	1	63	310.805	4	↓ MOL2 SDF SMILES Flexibase

22998989

Analogs

44518404
44518751

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-(m-tolyl)oxamide N'-[(1-methyl-4-piperidyl)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)	1.45	5.79	-41.5	3	5	1	63	290.387	4	↓ MOL2 SDF SMILES Flexibase

22998991

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(3,5-dimethylphenyl)-N'-[(1-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)	1.85	6.45	-41.61	3	5	1	63	304.414	4	↓ MOL2 SDF SMILES Flexibase

22998997

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(2-methoxy-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)	1.46	5.24	-42.12	3	6	1	72	320.413	5	↓ MOL2 SDF SMILES Flexibase

22999002

Analogs

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Popular Name: N-(4-ethoxyphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(4-ethoxyphenyl)-N'-[(1-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)	1.46	5.36	-42.72	3	6	1	72	320.413	6	↓ MOL2 SDF SMILES Flexibase

22999006

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-(3-methylsulfanylphenyl)oxamide N-[(1-methyl-4-piperidyl)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)	1.44	6.16	-43.06	3	5	1	63	322.454	5	↓ MOL2 SDF SMILES Flexibase

22999008

Analogs

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Popular Name: N'-(2-cyanophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2-cyanophenyl)-N-[(1-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)	0.73	5.57	-43.89	3	6	1	86	301.37	4	↓ MOL2 SDF SMILES Flexibase

22999018

Analogs

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Popular Name: N'-(2,4-dimethoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2,4-dimethoxyphenyl)-N-[(1-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)	1.07	3.87	-42.73	3	7	1	81	336.412	6	↓ MOL2 SDF SMILES Flexibase

22999022

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-(2-methylsulfanylphenyl)oxamide N-[(1-methyl-4-piperidyl)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)	1.41	6.28	-41.77	3	5	1	63	322.454	5	↓ MOL2 SDF SMILES Flexibase

22999026

Analogs

44518208
44518390
44518739

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Popular Name: N'-(2-fluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2-fluorophenyl)-N-[(1-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)	1.14	5.24	-41.84	3	5	1	63	294.35	4	↓ MOL2 SDF SMILES Flexibase

22999028

Analogs

43941865
43943241

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Popular Name: N'-(4-fluoro-3-nitro-phenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(4-fluoro-3-nitro-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)	1.08	5.82	-49.48	3	8	1	108	339.347	5	↓ MOL2 SDF SMILES Flexibase

22999030

Analogs

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Popular Name: N'-(3-chloro-4-fluoro-phenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3-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)	1.80	5.69	-43.46	3	5	1	63	328.795	4	↓ MOL2 SDF SMILES Flexibase

22999032

Analogs

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Popular Name: N'-(2,4-difluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2,4-difluorophenyl)-N-[(1-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)	1.28	5.3	-41.38	3	5	1	63	312.34	4	↓ MOL2 SDF SMILES Flexibase

22999034

Analogs

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Popular Name: N'-(2,5-difluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2,5-difluorophenyl)-N-[(1-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)	1.28	5.3	-41.43	3	5	1	63	312.34	4	↓ MOL2 SDF SMILES Flexibase

22999036

Analogs

44518393
44518742

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Popular Name: N'-(4-fluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(4-fluorophenyl)-N-[(1-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)	1.19	5.19	-42.34	3	5	1	63	294.35	4	↓ MOL2 SDF SMILES Flexibase

22999038

Analogs

44518395
44518744

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Popular Name: N'-(3-fluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3-fluorophenyl)-N-[(1-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)	1.17	5.19	-43.12	3	5	1	63	294.35	4	↓ MOL2 SDF SMILES Flexibase

22999040

Analogs

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Popular Name: N'-(5-chloro-2-cyano-phenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(5-chloro-2-cyano-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)	1.39	6.09	-42.91	3	6	1	86	335.815	4	↓ MOL2 SDF SMILES Flexibase

22999041

Analogs

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Popular Name: N'-(3,4-difluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3,4-difluorophenyl)-N-[(1-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)	1.28	5.24	-44.44	3	5	1	63	312.34	4	↓ MOL2 SDF SMILES Flexibase

22999043

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(3-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)	1.57	5.84	-42.95	3	5	1	63	308.377	4	↓ MOL2 SDF SMILES Flexibase

22999044

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide N-[(1-methyl-4-piperidyl)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)	1.92	6.12	-42.6	3	5	1	63	344.357	5	↓ MOL2 SDF SMILES Flexibase

22999046

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide N-[(1-methyl-4-piperidyl)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)	2.00	4.9	-42	3	6	1	72	360.356	6	↓ MOL2 SDF SMILES Flexibase

22999048

Analogs

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Popular Name: N'-(3-chloro-4-methoxy-phenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3-chloro-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)	1.69	4.99	-44.02	3	6	1	72	340.831	5	↓ MOL2 SDF SMILES Flexibase

22999049

Analogs

44518399

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Popular Name: N'-(3-methoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3-methoxyphenyl)-N-[(1-methy…

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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)	1.06	4.45	-43.59	3	6	1	72	306.386	5	↓ MOL2 SDF SMILES Flexibase

22999051

Analogs

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Popular Name: N-(2-ethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(2-ethylphenyl)-N'-[(1-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)	1.89	6.78	-41.19	3	5	1	63	304.414	5	↓ MOL2 SDF SMILES Flexibase

22999053

Analogs

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Popular Name: N-(4-ethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(4-ethylphenyl)-N'-[(1-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)	1.94	6.56	-41.36	3	5	1	63	304.414	5	↓ MOL2 SDF SMILES Flexibase

22999057

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.20	5.77	-45.8	3	7	1	89	334.396	6	↓ MOL2 SDF SMILES Flexibase

22999058

Analogs

44518738

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-phenyl-oxamide N-[(1-methyl-4-piperidyl)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)	1.02	5.11	-39.98	3	5	1	63	276.36	4	↓ MOL2 SDF SMILES Flexibase

22999059

Analogs

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Popular Name: N'-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(3,4-dimethoxyphenyl)-N-[(1-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)	0.67	4.36	-45.29	3	7	1	81	336.412	6	↓ MOL2 SDF SMILES Flexibase

22999071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(2,3-dimethylphenyl)-N'-[(1-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)	1.83	6.65	-41.65	3	5	1	63	304.414	4	↓ MOL2 SDF SMILES Flexibase

22999072

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(3-chloro-2-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)	2.06	6.48	-41.32	3	5	1	63	324.832	4	↓ MOL2 SDF SMILES Flexibase

22999073

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(2,6-dimethylphenyl)-N'-[(1-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)	0.89	6.64	-41.42	3	5	1	63	304.414	4	↓ MOL2 SDF SMILES Flexibase

22999074

Analogs

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-(2,4,6-trimethylphenyl)oxamide N'-[(1-methyl-4-piperidyl)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)	1.29	7.29	-41.44	3	5	1	63	318.441	4	↓ MOL2 SDF SMILES Flexibase

22999075

Analogs

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-N'-(2-nitrophenyl)oxamide N-[(1-methyl-4-piperidyl)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)	0.94	6.11	-45.61	3	8	1	108	321.357	5	↓ MOL2 SDF SMILES Flexibase

22999076

Analogs

43941858

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Popular Name: N-(4-methyl-2-nitro-phenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(4-methyl-2-nitro-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)	1.36	6.75	-44.74	3	8	1	108	335.384	5	↓ MOL2 SDF SMILES Flexibase

22999078

Analogs

44518400

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Popular Name: N'-(2-methoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2-methoxyphenyl)-N-[(1-methy…

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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)	1.03	4.58	-42.02	3	6	1	72	306.386	5	↓ MOL2 SDF SMILES Flexibase

22999079

Analogs

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Popular Name: N-(2-ethoxyphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(2-ethoxyphenyl)-N'-[(1-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)	1.41	5.5	-41.72	3	6	1	72	320.413	6	↓ MOL2 SDF SMILES Flexibase

22999080

Analogs

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Popular Name: N'-(5-chloro-2-methoxy-phenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(5-chloro-2-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)	1.69	5.08	-41.85	3	6	1	72	340.831	5	↓ MOL2 SDF SMILES Flexibase

22999081

Analogs

44518391
44518740

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Popular Name: N'-(2-chlorophenyl)-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-(2-chlorophenyl)-N-[(1-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)	1.66	5.75	-41.13	3	5	1	63	310.805	4	↓ MOL2 SDF SMILES Flexibase

22999082

Analogs

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-(o-tolyl)oxamide N'-[(1-methyl-4-piperidyl)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)	1.43	5.94	-41.61	3	5	1	63	290.387	4	↓ MOL2 SDF SMILES Flexibase

22999083

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(3,4-dimethylphenyl)-N'-[(1-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)	1.85	6.44	-41.73	3	5	1	63	304.414	4	↓ MOL2 SDF SMILES Flexibase

22999084

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(3-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)	2.08	6.27	-42.18	3	5	1	63	324.832	4	↓ MOL2 SDF SMILES Flexibase

22999085

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(2,5-dimethylphenyl)-N'-[(1-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)	1.85	6.64	-41.7	3	5	1	63	304.414	4	↓ MOL2 SDF SMILES Flexibase

22999086

Analogs

44518210

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Popular Name: N-(5-chloro-2-methyl-phenyl)-N'-[(1-methyl-4-piperidyl)methyl]oxamide N-(5-chloro-2-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)	2.08	6.45	-41.91	3	5	1	63	324.832	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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