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ZINC Item

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53662387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(2R)-1,4-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)	-0.28	1.65	-50.68	4	5	1	75	265.333	5	↓ MOL2 SDF SMILES Flexibase

53662390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(2S)-1,4-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)	-0.28	1.7	-50.42	4	5	1	75	265.333	5	↓ MOL2 SDF SMILES Flexibase

54414917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(2R)-1,4-dioxan-2-yl…

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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)	0.13	1.62	-10.43	3	8	0	119	281.268	4	↓ MOL2 SDF SMILES Flexibase

54414918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(2S)-1,4-dioxan-2-yl…

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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)	0.13	1.67	-10.34	3	8	0	119	281.268	4	↓ MOL2 SDF SMILES Flexibase

54414919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(methylamino)-4-nitro-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	0.50	2.58	-10.54	2	8	0	105	295.295	5	↓ MOL2 SDF SMILES Flexibase

54414920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(methylamino)-4-nitro-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	0.50	2.63	-10.37	2	8	0	105	295.295	5	↓ MOL2 SDF SMILES Flexibase

54415575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-hydrazino-4-nitro-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	-0.11	1.35	-11.17	4	9	0	131	296.283	5	↓ MOL2 SDF SMILES Flexibase

54415576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-hydrazino-4-nitro-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	-0.11	1.39	-10.98	4	9	0	131	296.283	5	↓ MOL2 SDF SMILES Flexibase

54416294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-fluoro-4-nitro-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	0.81	3.58	-10.64	1	7	0	93	284.243	4	↓ MOL2 SDF SMILES Flexibase

54416295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-fluoro-4-nitro-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	0.81	3.62	-10.5	1	7	0	93	284.243	4	↓ MOL2 SDF SMILES Flexibase

62819881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(isopropylamino)benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	1.91	3.56	-7.88	2	5	0	60	278.352	5	↓ MOL2 SDF SMILES Flexibase

62819882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(isopropylamino)benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	1.91	3.62	-7.75	2	5	0	60	278.352	5	↓ MOL2 SDF SMILES Flexibase

63005870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-(ethylamino)-3,5-difluoro-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	1.18	2.51	-7.89	2	5	0	60	300.305	5	↓ MOL2 SDF SMILES Flexibase

63005871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(ethylamino)-3,5-difluoro-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	1.18	2.56	-7.82	2	5	0	60	300.305	5	↓ MOL2 SDF SMILES Flexibase

63005873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3,5-difluoro-benzamide 4-amino-N-[[(2R)-1,4-dioxan-2-yl…

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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)	0.43	0.9	-8.18	3	5	0	74	272.251	3	↓ MOL2 SDF SMILES Flexibase

63005874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[[(2S)-1,4-dioxan-2-yl]methyl]-3,5-difluoro-benzamide 4-amino-N-[[(2S)-1,4-dioxan-2-yl…

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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)	0.43	0.95	-8.13	3	5	0	74	272.251	3	↓ MOL2 SDF SMILES Flexibase

63005875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-3,5-difluoro-4-(methylamino)benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	0.80	1.71	-8.25	2	5	0	60	286.278	4	↓ MOL2 SDF SMILES Flexibase

63005876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3,5-difluoro-4-(methylamino)benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	0.80	1.76	-8.12	2	5	0	60	286.278	4	↓ MOL2 SDF SMILES Flexibase

63007553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-3,5-difluoro-4-hydrazino-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	0.19	0.72	-8.99	4	6	0	86	287.266	4	↓ MOL2 SDF SMILES Flexibase

63007554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3,5-difluoro-4-hydrazino-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	0.19	0.77	-8.95	4	6	0	86	287.266	4	↓ MOL2 SDF SMILES Flexibase

63010660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-3,4,5-trifluoro-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	1.11	3.02	-8.2	1	4	0	48	275.226	3	↓ MOL2 SDF SMILES Flexibase

63010661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3,4,5-trifluoro-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	1.11	3.07	-8.03	1	4	0	48	275.226	3	↓ MOL2 SDF SMILES Flexibase

40445436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-fluoro-benzamide 5-chloro-N-[[(2R)-1,4-dioxan-2-y…

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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)	1.53	3.43	-9.86	1	4	0	48	273.691	3	↓ MOL2 SDF SMILES Flexibase

40445437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-fluoro-benzamide 5-chloro-N-[[(2S)-1,4-dioxan-2-y…

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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)	1.53	3.48	-9.82	1	4	0	48	273.691	3	↓ MOL2 SDF SMILES Flexibase

48940874

Analogs

43702402
43702404

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-isopropylsulfanyl-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	1.88	5.23	-10.33	1	4	0	48	295.404	5	↓ MOL2 SDF SMILES Flexibase

48940876

Analogs

43702402
43702404

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-isopropylsulfanyl-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	1.88	5.28	-10.29	1	4	0	48	295.404	5	↓ MOL2 SDF SMILES Flexibase

49342148

Analogs

37997894
37997895

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-[ethyl(methyl)amino]benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	1.24	4.2	-9.8	1	5	0	51	278.352	5	↓ MOL2 SDF SMILES Flexibase

49342149

Analogs

37997894
37997895

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[ethyl(methyl)amino]benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	1.24	4.25	-9.76	1	5	0	51	278.352	5	↓ MOL2 SDF SMILES Flexibase

49376947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-methoxy-benzamide 4-chloro-N-[[(2R)-1,4-dioxan-2-y…

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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)	1.97	3.92	-10.72	1	5	0	57	285.727	4	↓ MOL2 SDF SMILES Flexibase

49376948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-methoxy-benzamide 4-chloro-N-[[(2S)-1,4-dioxan-2-y…

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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)	1.97	3.97	-10.63	1	5	0	57	285.727	4	↓ MOL2 SDF SMILES Flexibase

49400135

Analogs

43702706
43702708

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-methyl-5-nitro-benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	1.10	4.21	-9.05	1	7	0	93	280.28	4	↓ MOL2 SDF SMILES Flexibase

49400137

Analogs

43702706
43702708

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-methyl-5-nitro-benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	1.10	4.26	-8.89	1	7	0	93	280.28	4	↓ MOL2 SDF SMILES Flexibase

42032996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(methylamino)benzamide N-[[(2R)-1,4-dioxan-2-yl]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)	0.57	2	-8.17	2	5	0	60	250.298	4	↓ MOL2 SDF SMILES Flexibase

42032998

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Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(methylamino)benzamide N-[[(2S)-1,4-dioxan-2-yl]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)	0.57	2.06	-8.05	2	5	0	60	250.298	4	↓ MOL2 SDF SMILES Flexibase

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ring.id = 108835
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 108835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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