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ZINC Item

Suppliers, Protomers, & Similar Substances

9708480

Analogs

39703647
39703651

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-methanone (3-methoxyphenyl)-[4-(2-thienyls…

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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)	2.12	-4.58	-17.54	0	7	0	76	422.528	4	↓ MOL2 SDF SMILES Flexibase

9708481

Analogs

20614800
39703640
39703651

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethoxyphenyl)-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-methanone (4-ethoxyphenyl)-[4-(2-thienylsu…

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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)	2.52	-4.55	-15.41	0	7	0	76	436.555	5	↓ MOL2 SDF SMILES Flexibase

9708482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-methanone (4-bromophenyl)-[4-(2-thienylsul…

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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	-5.36	-13.48	0	6	0	66	471.398	3	↓ MOL2 SDF SMILES Flexibase

9708483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(p-tolylsulfonyl)-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(p-tolylsulfonyl)-8-(2-thienyl…

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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)	2.88	3.57	-14.71	0	7	0	84	442.584	4	↓ MOL2 SDF SMILES Flexibase

9708484

Analogs

38568391

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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)	3.61	-7.74	-13.21	0	7	0	83	471	4	↓ MOL2 SDF SMILES Flexibase

9708485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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)	3.76	-6.85	-14.12	0	7	0	83	464.609	4	↓ MOL2 SDF SMILES Flexibase

9708486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)sulfonyl-…

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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)	2.97	-7.15	-17.33	0	9	0	102	496.607	6	↓ MOL2 SDF SMILES Flexibase

9708487

Analogs

9708516

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)sul…

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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)	3.36	-6.83	-16.42	0	8	0	93	480.608	5	↓ MOL2 SDF SMILES Flexibase

9708488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonyl)-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4 8-(2,5-dioxabicyclo[4.4.0]deca-7…

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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)	2.44	-8.46	-17.04	0	9	0	102	494.591	4	↓ MOL2 SDF SMILES Flexibase

9708489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	2.19	-15.45	0	8	0	93	458.583	5	↓ MOL2 SDF SMILES Flexibase

9708490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-difluorophenyl)sulfonyl-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)	2.79	3.18	-14.94	0	8	0	93	488.534	5	↓ MOL2 SDF SMILES Flexibase

9708491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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)	2.70	3.28	-14.19	0	8	0	93	470.544	5	↓ MOL2 SDF SMILES Flexibase

9708492

Analogs

9708505

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.17	-14.93	0	8	0	93	494.635	5	↓ MOL2 SDF SMILES Flexibase

9708493

Analogs

9708496
12342419
4850473

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-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)	2.54	3.21	-15.43	0	8	0	93	452.554	5	↓ MOL2 SDF SMILES Flexibase

9708494

Analogs

12342407

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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)	2.99	3.89	-16.49	0	8	0	93	466.581	5	↓ MOL2 SDF SMILES Flexibase

9708495

Analogs

38568408

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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)	3.22	3.73	-13.99	0	8	0	93	486.999	5	↓ MOL2 SDF SMILES Flexibase

9708496

Analogs

12342419
4850473

Draw Identity 99% 90% 80% 70%

Popular Name: 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane 4,8-bis[(4-methoxyphenyl)sulfony…

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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	2.51	-16.96	0	9	0	102	482.58	6	↓ MOL2 SDF SMILES Flexibase

9708497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(4-nitrophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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)	2.50	3.92	-15.84	0	11	0	139	497.551	6	↓ MOL2 SDF SMILES Flexibase

9708498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-2-methyl-phenyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	3.52	-15	0	8	0	93	484.571	5	↓ MOL2 SDF SMILES Flexibase

9708499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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)	3.36	4.2	-17.09	0	8	0	93	480.608	5	↓ MOL2 SDF SMILES Flexibase

9708500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)sul…

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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)	2.97	3.72	-18.97	0	9	0	102	496.607	6	↓ MOL2 SDF SMILES Flexibase

9708501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-thienylsulfonyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-thienylsulfonyl)-4-(2,4,6-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	-7.47	-15.73	0	7	0	83	470.638	4	↓ MOL2 SDF SMILES Flexibase

9708502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	-5.77	-13.87	0	7	0	83	482.599	4	↓ MOL2 SDF SMILES Flexibase

9708503

Analogs

9708504
9708511
12342405
38567816
38633481

Draw Identity 99% 90% 80% 70%

Popular Name: 8-phenylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-phenylsulfonyl-4-(2,4,6-trimet…

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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)	3.68	-6.51	-15.43	0	7	0	83	464.609	4	↓ MOL2 SDF SMILES Flexibase

9708504

Analogs

9708511
12342405
38567816
38633481
4850476

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(p-tolylsulfonyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(p-tolylsulfonyl)-4-(2,4,6-tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.13	6.03	-15.88	0	7	0	84	478.636	4	↓ MOL2 SDF SMILES Flexibase

9708505

Analogs

9708492

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxyphenyl)sulfonyl-4-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	4.72	-15.3	0	8	0	93	494.635	5	↓ MOL2 SDF SMILES Flexibase

9708506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]deca 8-(4-fluoro-2-methyl-phenyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	-5.2	-13.91	0	7	0	83	496.626	4	↓ MOL2 SDF SMILES Flexibase

9708507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]deca 8-(4-fluoro-3-methyl-phenyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	-5.49	-14.06	0	7	0	83	496.626	4	↓ MOL2 SDF SMILES Flexibase

9708508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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)	4.51	-5.62	-15.44	0	7	0	83	492.663	4	↓ MOL2 SDF SMILES Flexibase

9708509

Analogs

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Popular Name: 4-phenylsulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(2-thienylsul…

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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)	2.43	2.89	-14.97	0	7	0	84	428.557	4	↓ MOL2 SDF SMILES Flexibase

9708510

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-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)	2.65	-7.18	-13.66	0	7	0	83	440.518	4	↓ MOL2 SDF SMILES Flexibase

9708511

Analogs

12342405
38567816
38633481
4850476
9708503

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(2,4,6-trimet…

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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)	3.68	-6.47	-14.67	0	7	0	83	464.609	4	↓ MOL2 SDF SMILES Flexibase

9708512

Analogs

12342406
35590108
39703473

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenylsulfonyl-8-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(p-tolylsulfo…

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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)	2.93	-7.6	-14.92	0	7	0	83	436.555	4	↓ MOL2 SDF SMILES Flexibase

9708513

Analogs

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Popular Name: 8-(4-nitrophenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-nitrophenyl)sulfonyl-4-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)	2.44	-7.4	-15.33	0	10	0	129	467.525	5	↓ MOL2 SDF SMILES Flexibase

9708514

Analogs

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Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-3-methyl-phenyl)sulf…

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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)	3.02	-6.9	-13.83	0	7	0	83	454.545	4	↓ MOL2 SDF SMILES Flexibase

9708515

Analogs

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Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)sulfonyl-…

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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)	2.52	3.05	-19.65	0	9	0	102	482.58	6	↓ MOL2 SDF SMILES Flexibase

9708516

Analogs

9708487

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Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)sul…

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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)	2.92	4.42	-18.5	0	8	0	93	466.581	5	↓ MOL2 SDF SMILES Flexibase

9708517

Analogs

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Popular Name: 8-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(5-fluoro-2-methoxy-phenyl)sul…

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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)	2.63	3.82	-18.06	0	8	0	93	470.544	5	↓ MOL2 SDF SMILES Flexibase

9708518

Analogs

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Popular Name: 8-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonyl)-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5] 8-(2,5-dioxabicyclo[4.4.0]deca-7…

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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	-8.78	-17.3	0	9	0	102	480.564	4	↓ MOL2 SDF SMILES Flexibase

9708519

Analogs

4850480

Draw Identity 99% 90% 80% 70%

Popular Name: 4,8-bis(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4,8-bis(2-thienylsulfonyl)-1-oxa…

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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)	2.38	-9.66	-14.99	0	7	0	83	434.586	4	↓ MOL2 SDF SMILES Flexibase

9708520

Analogs

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Popular Name: 8-(3,4-dimethoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(3,4-dimethoxyphenyl)sulfonyl-…

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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	2.14	-18.4	0	9	0	102	488.609	6	↓ MOL2 SDF SMILES Flexibase

9708521

Analogs

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Popular Name: 8-(2,5-difluorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-difluorophenyl)sulfonyl-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	2.9	-16.61	0	7	0	84	464.537	4	↓ MOL2 SDF SMILES Flexibase

9708522

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	3	-15.18	0	7	0	84	446.547	4	↓ MOL2 SDF SMILES Flexibase

9708523

Analogs

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Popular Name: 4-(2-thienylsulfonyl)-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(2-thienylsulfonyl)-8-(2,4,6-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	4.85	-15.77	0	7	0	84	470.638	4	↓ MOL2 SDF SMILES Flexibase

9708524

Analogs

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Popular Name: 8-phenylsulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-phenylsulfonyl-4-(2-thienylsul…

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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)	2.43	2.94	-16.47	0	7	0	84	428.557	4	↓ MOL2 SDF SMILES Flexibase

9708525

Analogs

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Popular Name: 8-(p-tolylsulfonyl)-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(p-tolylsulfonyl)-4-(2-thienyl…

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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)	2.88	3.61	-16.29	0	7	0	84	442.584	4	↓ MOL2 SDF SMILES Flexibase

9708526

Analogs

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Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	3.45	-14.97	0	7	0	84	463.002	4	↓ MOL2 SDF SMILES Flexibase

9708527

Analogs

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Popular Name: 8-(4-methoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxyphenyl)sulfonyl-4-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	2.24	-16.69	0	8	0	93	458.583	5	↓ MOL2 SDF SMILES Flexibase

9708528

Analogs

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Popular Name: 8-(4-nitrophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-nitrophenyl)sulfonyl-4-(2-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	3.65	-16.47	0	10	0	130	473.554	5	↓ MOL2 SDF SMILES Flexibase

9708529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-methoxy-3-methyl-phenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxy-3-methyl-phenyl)sul…

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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)	2.86	-8.27	-15.49	0	8	0	93	472.61	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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