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ZINC Item

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69563435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(cyclopropylmethyl)-N-(3,5-difluoro-4-methylsulfonyl-phenyl)oxamide N'-(cyclopropylmethyl)-N-(3,5-di…

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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)	0.58	1.23	-13.18	2	6	0	92	332.328	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.77	0.44	-43.67	1	6	-1	99	331.32	5	↓ MOL2 SDF SMILES Flexibase

65576269

Analogs

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Popular Name: N'-(5-chloro-2-fluoro-phenyl)-N-[(1S)-1-cyclopropylethyl]oxamide N'-(5-chloro-2-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)	2.19	4.65	-5.2	2	4	0	58	284.718	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.38	4.02	-44.79	1	4	-1	65	283.71	4	↓ MOL2 SDF SMILES Flexibase

65592614

Analogs

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Popular Name: N'-(cyclopropylmethyl)-N-[3-(ethoxymethyl)phenyl]oxamide N'-(cyclopropylmethyl)-N-[3-(eth…

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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)	1.40	4.13	-6.79	2	5	0	67	276.336	7	↓ MOL2 SDF SMILES Flexibase

65595568

Analogs

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Popular Name: N'-(cyclopropylmethyl)-N-(2-ethoxy-5-fluoro-phenyl)oxamide N'-(cyclopropylmethyl)-N-(2-etho…

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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)	1.62	3.84	-6.98	2	5	0	67	280.299	6	↓ MOL2 SDF SMILES Flexibase

69922259

Analogs

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Popular Name: N'-(cyclopropylmethyl)-N-[4-(2-methylsulfanylethyl)phenyl]oxamide N'-(cyclopropylmethyl)-N-[4-(2-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)	1.80	6.1	-6.29	2	4	0	58	292.404	7	↓ MOL2 SDF SMILES Flexibase

67495115

Analogs

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Popular Name: N'-(cyclopropylmethyl)-N-[3-(2-methylallyloxy)phenyl]oxamide N'-(cyclopropylmethyl)-N-[3-(2-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)	2.32	5.03	-8.47	2	5	0	67	288.347	7	↓ MOL2 SDF SMILES Flexibase

49269964

Analogs

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Popular Name: N'-[(1S)-1-cyclopropylethyl]-N-ethyl-N-(3-fluorophenyl)oxamide N'-[(1S)-1-cyclopropylethyl]-N-e…

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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)	2.18	6.46	-6.86	1	4	0	49	278.327	5	↓ MOL2 SDF SMILES Flexibase

49269966

Analogs

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Popular Name: N'-[(1R)-1-cyclopropylethyl]-N-ethyl-N-(3-fluorophenyl)oxamide N'-[(1R)-1-cyclopropylethyl]-N-e…

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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)	2.18	6.58	-6.91	1	4	0	49	278.327	5	↓ MOL2 SDF SMILES Flexibase

49269991

Analogs

44880522

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(cyclopropylmethyl)-N-ethyl-N-(3-fluorophenyl)oxamide N'-(cyclopropylmethyl)-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)	1.85	5.85	-7.01	1	4	0	49	264.3	5	↓ MOL2 SDF SMILES Flexibase

49269993

Analogs

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Popular Name: N-(4-bromo-2-chloro-6-methyl-phenyl)-N'-(cyclopropylmethyl)-N'-methyl-oxamide N-(4-bromo-2-chloro-6-methyl-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)	3.13	7.66	-5.52	1	4	0	49	359.651	4	↓ MOL2 SDF SMILES Flexibase

49270913

Analogs

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Popular Name: N'-(3-cyanophenyl)-N'-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N'-(3-cyanophenyl)-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)	1.68	5.82	-6.5	1	5	0	73	271.32	4	↓ MOL2 SDF SMILES Flexibase

49270915

Analogs

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Popular Name: N'-(3-cyanophenyl)-N'-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N'-(3-cyanophenyl)-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)	1.68	5.88	-6.44	1	5	0	73	271.32	4	↓ MOL2 SDF SMILES Flexibase

49270917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-cyanophenyl)-N'-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N'-(3-cyanophenyl)-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)	1.68	5.88	-6.42	1	5	0	73	271.32	4	↓ MOL2 SDF SMILES Flexibase

49270919

Analogs

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Popular Name: N'-(3-cyanophenyl)-N'-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N'-(3-cyanophenyl)-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)	1.68	5.82	-6.47	1	5	0	73	271.32	4	↓ MOL2 SDF SMILES Flexibase

49270928

Analogs

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Popular Name: N'-(2-chloro-5-methoxy-phenyl)-N-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N'-(2-chloro-5-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)	2.36	3.96	-6.8	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270930

Analogs

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Popular Name: N'-(2-chloro-5-methoxy-phenyl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N'-(2-chloro-5-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)	2.36	4.02	-6.79	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270932

Analogs

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Popular Name: N'-(2-chloro-5-methoxy-phenyl)-N-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N'-(2-chloro-5-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)	2.36	4.03	-6.77	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270934

Analogs

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Popular Name: N'-(2-chloro-5-methoxy-phenyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N'-(2-chloro-5-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)	2.36	3.96	-6.78	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270936

Analogs

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Popular Name: N'-(3-chloro-2-methoxy-phenyl)-N-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N'-(3-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)	2.34	4.11	-5.52	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270938

Analogs

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Popular Name: N'-(3-chloro-2-methoxy-phenyl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N'-(3-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)	2.34	4.17	-5.51	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270940

Analogs

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Popular Name: N'-(3-chloro-2-methoxy-phenyl)-N-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N'-(3-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)	2.34	4.17	-5.53	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-chloro-2-methoxy-phenyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N'-(3-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)	2.34	4.11	-5.54	2	5	0	67	296.754	5	↓ MOL2 SDF SMILES Flexibase

49270944

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-N-methyl-N'-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N-(4-bromo-2-methyl-phenyl)-N-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)	3.13	7.41	-5.02	1	4	0	49	339.233	4	↓ MOL2 SDF SMILES Flexibase

49270946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-methyl-phenyl)-N-methyl-N'-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N-(4-bromo-2-methyl-phenyl)-N-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)	3.13	7.48	-4.98	1	4	0	49	339.233	4	↓ MOL2 SDF SMILES Flexibase

49270948

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-N-methyl-N'-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N-(4-bromo-2-methyl-phenyl)-N-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)	3.13	7.48	-4.96	1	4	0	49	339.233	4	↓ MOL2 SDF SMILES Flexibase

49270950

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-N-methyl-N'-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N-(4-bromo-2-methyl-phenyl)-N-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)	3.13	7.41	-5.02	1	4	0	49	339.233	4	↓ MOL2 SDF SMILES Flexibase

49270952

Analogs

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Popular Name: N'-(5-bromo-2-iodo-phenyl)-N-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N'-(5-bromo-2-iodo-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)	3.52	5.91	-4.37	2	4	0	58	437.075	4	↓ MOL2 SDF SMILES Flexibase

49270954

Analogs

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Popular Name: N'-(5-bromo-2-iodo-phenyl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N'-(5-bromo-2-iodo-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)	3.52	5.97	-4.35	2	4	0	58	437.075	4	↓ MOL2 SDF SMILES Flexibase

49270955

Analogs

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Popular Name: N'-(5-bromo-2-iodo-phenyl)-N-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N'-(5-bromo-2-iodo-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)	3.52	5.97	-4.36	2	4	0	58	437.075	4	↓ MOL2 SDF SMILES Flexibase

49270957

Analogs

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Popular Name: N'-(5-bromo-2-iodo-phenyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N'-(5-bromo-2-iodo-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)	3.52	5.91	-4.36	2	4	0	58	437.075	4	↓ MOL2 SDF SMILES Flexibase

49270966

Analogs

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Popular Name: N-(3-ethoxyphenyl)-N'-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N-(3-ethoxyphenyl)-N'-[[(1R,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)	2.11	4.24	-8.11	2	5	0	67	276.336	6	↓ MOL2 SDF SMILES Flexibase

49270968

Analogs

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Popular Name: N-(3-ethoxyphenyl)-N'-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N-(3-ethoxyphenyl)-N'-[[(1S,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)	2.11	4.32	-8.12	2	5	0	67	276.336	6	↓ MOL2 SDF SMILES Flexibase

49270969

Analogs

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Popular Name: N-(3-ethoxyphenyl)-N'-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N-(3-ethoxyphenyl)-N'-[[(1R,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)	2.11	4.32	-8.12	2	5	0	67	276.336	6	↓ MOL2 SDF SMILES Flexibase

49270971

Analogs

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Popular Name: N-(3-ethoxyphenyl)-N'-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N-(3-ethoxyphenyl)-N'-[[(1S,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)	2.11	4.24	-8.12	2	5	0	67	276.336	6	↓ MOL2 SDF SMILES Flexibase

49270973

Analogs

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Popular Name: N-(2-ethylsulfanylphenyl)-N'-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N-(2-ethylsulfanylphenyl)-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)	2.46	6.05	-6.5	2	4	0	58	292.404	6	↓ MOL2 SDF SMILES Flexibase

49270974

Analogs

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Popular Name: N-(2-ethylsulfanylphenyl)-N'-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N-(2-ethylsulfanylphenyl)-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)	2.46	6.12	-6.46	2	4	0	58	292.404	6	↓ MOL2 SDF SMILES Flexibase

49270976

Analogs

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Popular Name: N-(2-ethylsulfanylphenyl)-N'-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N-(2-ethylsulfanylphenyl)-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)	2.46	6.12	-6.41	2	4	0	58	292.404	6	↓ MOL2 SDF SMILES Flexibase

49270978

Analogs

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Popular Name: N-(2-ethylsulfanylphenyl)-N'-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N-(2-ethylsulfanylphenyl)-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)	2.46	6.05	-6.46	2	4	0	58	292.404	6	↓ MOL2 SDF SMILES Flexibase

49270980

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N'-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N'-(2-methoxyphenyl)-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)	1.96	5.2	-7.48	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

49270982

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N'-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N'-(2-methoxyphenyl)-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)	1.96	5.26	-7.48	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

49270984

Analogs

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Popular Name: N'-(2-methoxyphenyl)-N'-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N'-(2-methoxyphenyl)-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)	1.96	5.26	-7.48	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

49270985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-methoxyphenyl)-N'-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N'-(2-methoxyphenyl)-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)	1.96	5.2	-7.51	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

49270987

Analogs

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Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N'-(4-fluorophenyl)-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)	2.11	5.5	-5.29	1	4	0	49	264.3	4	↓ MOL2 SDF SMILES Flexibase

49270989

Analogs

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Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N'-(4-fluorophenyl)-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)	2.11	5.56	-5.36	1	4	0	49	264.3	4	↓ MOL2 SDF SMILES Flexibase

49270990

Analogs

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Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N'-(4-fluorophenyl)-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)	2.11	5.56	-5.31	1	4	0	49	264.3	4	↓ MOL2 SDF SMILES Flexibase

49270992

Analogs

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Popular Name: N'-(4-fluorophenyl)-N'-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N'-(4-fluorophenyl)-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)	2.11	5.5	-5.3	1	4	0	49	264.3	4	↓ MOL2 SDF SMILES Flexibase

49270994

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-N'-[[(1R,2S)-2-methylcyclopropyl]methyl]oxamide N-ethyl-N-(3-fluorophenyl)-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)	2.46	6.45	-6.91	1	4	0	49	278.327	5	↓ MOL2 SDF SMILES Flexibase

49270996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(3-fluorophenyl)-N'-[[(1S,2S)-2-methylcyclopropyl]methyl]oxamide N-ethyl-N-(3-fluorophenyl)-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)	2.46	6.53	-6.89	1	4	0	49	278.327	5	↓ MOL2 SDF SMILES Flexibase

49270997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(3-fluorophenyl)-N'-[[(1R,2R)-2-methylcyclopropyl]methyl]oxamide N-ethyl-N-(3-fluorophenyl)-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)	2.46	6.53	-6.87	1	4	0	49	278.327	5	↓ MOL2 SDF SMILES Flexibase

49270999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(3-fluorophenyl)-N'-[[(1S,2R)-2-methylcyclopropyl]methyl]oxamide N-ethyl-N-(3-fluorophenyl)-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)	2.46	6.45	-6.87	1	4	0	49	278.327	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 24378
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24378&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "24378"        

    });
</script>

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