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ZINC Item

Suppliers, Protomers, & Similar Substances

5778368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)carbamoylmethyl (8-methyl-2,4-dioxo-1,3-diazaspi…

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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)	2.25	-1.19	-17.85	2	9	0	114	415.446	7	↓ MOL2 SDF SMILES Flexibase

5778414

Analogs

7605531
7605565
4846539
5610394

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)carbamoylmethyl (1,3-dioxo-2,4-diazaspiro[4.5]de…

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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)	2.85	7.55	-16.68	2	8	0	105	373.409	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.04	5.14	-57.5	1	8	-1	111	372.401	5	↓ MOL2 SDF SMILES Flexibase

5778946

Analogs

6376952
6917181
7605881
5507693

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)carbamoylmethyl (1,3-dioxo-2,4-diazaspiro[4.5]de…

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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)	3.48	-1.06	-14.95	2	8	0	104	407.511	6	↓ MOL2 SDF SMILES Flexibase

5780131

Analogs

7507380

Draw Identity 99% 90% 80% 70%

Popular Name: N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-(8-methyl-2,4-dioxo-1,3-diazas…

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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)	-0.09	-3.74	-38.47	2	8	0	103	364.427	4	↓ MOL2 SDF SMILES Flexibase

5780713

Analogs

5780724

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)carbamoylmethyl (1,3-dioxo-2,4-diazaspiro[4.5]de…

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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)	2.51	7.54	-16.29	2	8	0	105	373.409	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.70	5.14	-57.28	1	8	-1	111	372.401	5	↓ MOL2 SDF SMILES Flexibase

5780724

Analogs

5780713

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)carbamoylmethyl (8-methyl-1,3-dioxo-2,4-diazaspi…

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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)	2.29	-1.05	-16.23	2	8	0	104	387.436	5	↓ MOL2 SDF SMILES Flexibase

5780964

Analogs

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Popular Name: (8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)carbamoylmethyl (8-methyl-2,4-dioxo-1,3-diazaspi…

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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)	1.79	-0.64	-18.21	2	8	0	104	391.399	6	↓ MOL2 SDF SMILES Flexibase

6051472

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-(1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)-acetamide 2-(2,4-dichlorophenoxy)-N-(1,3-d…

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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)	3.20	6.31	-19.87	2	7	0	88	386.235	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.38	3.68	-53.42	1	7	-1	94	385.227	4	↓ MOL2 SDF SMILES Flexibase

8980625

Analogs

21739789

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)carbamoylmethyl (8-methyl-2,4-dioxo-1,3-diazaspi…

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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)	1.48	-3.15	-19.9	3	11	0	143	474.514	9	↓ MOL2 SDF SMILES Flexibase

10497383

Analogs

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Popular Name: 4-[(1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)methyl]-3-fluoro-benzonitrile 4-[(1,3-dioxo-2,4-diazaspiro[4.5…

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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)	2.40	0.95	-8.92	1	5	0	73	301.321	2	↓ MOL2 SDF SMILES Flexibase

10498957

Analogs

10498981
15572330
20823087
20823090
23656566

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[[5-(4-bromophenyl)-1,3,4-oxad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	-4.48	-11.27	1	7	0	88	419.279	3	↓ MOL2 SDF SMILES Flexibase

10498967

Analogs

10537539
10537541
10537542
10537546

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methyl-2-[(7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)methyl]-2,4-diazaspi 8-methyl-2-[(7-methyl-5-oxo-9-th…

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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)	1.63	-2.33	-15.31	1	7	0	83	360.439	2	↓ MOL2 SDF SMILES Flexibase

10498971

Analogs

10498996
12951634

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[[3-(4-methoxyphenyl)isoxazol-…

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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)	2.78	-0.11	-12.32	1	7	0	84	369.421	4	↓ MOL2 SDF SMILES Flexibase

10502425

Analogs

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide N-[2-(5-bromo-2-thienyl)ethyl]-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)	3.17	-4.19	-14.91	2	6	0	78	428.352	5	↓ MOL2 SDF SMILES Flexibase

10969846

Analogs

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Popular Name: 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetami 2-[5-(dimethylsulfamoyl)-2-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.40	-6.51	-27.14	2	11	0	138	439.494	5	↓ MOL2 SDF SMILES Flexibase

10971392

Analogs

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Popular Name: 2-(4-indan-5-yl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3 2-(4-indan-5-yl-4-methyl-2,5-dio…

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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)	1.31	-4.42	-21.93	3	10	0	128	467.526	4	↓ MOL2 SDF SMILES Flexibase

10971401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-indan-5-yl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3 2-(4-indan-5-yl-4-methyl-2,5-dio…

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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)	1.31	-4.85	-21.47	3	10	0	128	467.526	4	↓ MOL2 SDF SMILES Flexibase

45411793

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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)	5.58	12.01	-16.49	1	7	0	89	473.573	6	↓ MOL2 SDF SMILES Flexibase

45618795

Analogs

45618798
12871414
12871421
8752496

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	6.77	-12.78	2	8	0	105	446.544	9	↓ MOL2 SDF SMILES Flexibase

45618798

Analogs

12871414
12871421
45618795

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	7.05	-12.6	2	8	0	105	446.544	9	↓ MOL2 SDF SMILES Flexibase

35499259

Analogs

35499262
21585701
21706405
21706411

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,10R)-3-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-10-methyl-1,3 (5S,10R)-3-[2-[(3S)-3-(4-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	11.19	-16.06	1	8	0	91	474.561	5	↓ MOL2 SDF SMILES Flexibase

35499262

Analogs

21585701
21706405
21706411

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,10R)-3-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-10-methyl-1,3 (5R,10R)-3-[2-[(3S)-3-(4-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	10.79	-17.04	1	8	0	91	474.561	5	↓ MOL2 SDF SMILES Flexibase

46671466

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-3-(isopropylcarbamoylamino)benzamide N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	1.09	3.83	-26.57	4	9	0	120	387.44	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.17	2.19	-76.47	3	9	-1	126	386.432	4	↓ MOL2 SDF SMILES Flexibase

46671468

Analogs

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Popular Name: 2-(2-benzylthiazol-4-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide 2-(2-benzylthiazol-4-yl)-N-(1,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.06	-20.95	2	7	0	91	398.488	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.08	5.7	-62.33	1	7	-1	98	397.48	5	↓ MOL2 SDF SMILES Flexibase

46671470

Analogs

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Popular Name: (2S)-2-benzyloxy-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)propanamide (2S)-2-benzyloxy-N-(1,3-dioxo-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)	2.17	6.42	-18.43	2	7	0	88	345.399	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	4.51	-59.56	1	7	-1	94	344.391	5	↓ MOL2 SDF SMILES Flexibase

46671473

Analogs

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Popular Name: (2R)-2-benzyloxy-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)propanamide (2R)-2-benzyloxy-N-(1,3-dioxo-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)	2.17	6.42	-18.55	2	7	0	88	345.399	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	4.51	-59.35	1	7	-1	94	344.391	5	↓ MOL2 SDF SMILES Flexibase

46671555

Analogs

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Popular Name: 5-bromo-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)benzofuran-2-carboxamide 5-bromo-N-(1,3-dioxo-2,4-diazasp…

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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)	2.28	5.68	-12.36	2	7	0	92	406.236	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	3.87	-55.82	1	7	-1	98	405.228	2	↓ MOL2 SDF SMILES Flexibase

46671557

Analogs

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Popular Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxamide 6-(3,5-dimethylpyrazol-1-yl)-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.63	6.57	-17.19	2	9	0	109	382.424	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.71	4.95	-55.11	1	9	-1	116	381.416	3	↓ MOL2 SDF SMILES Flexibase

46671559

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	1.59	5.82	-20.89	3	8	0	108	384.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	4.17	-64.7	2	8	-1	114	383.428	4	↓ MOL2 SDF SMILES Flexibase

46671561

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	1.59	5.78	-21.47	3	8	0	108	384.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	4.12	-64.91	2	8	-1	114	383.428	4	↓ MOL2 SDF SMILES Flexibase

46671563

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-4-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzamide N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	1.59	5.78	-21.46	3	8	0	108	384.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	4.12	-64.89	2	8	-1	114	383.428	4	↓ MOL2 SDF SMILES Flexibase

46671564

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	1.59	5.82	-20.89	3	8	0	108	384.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	4.17	-64.7	2	8	-1	114	383.428	4	↓ MOL2 SDF SMILES Flexibase

46671566

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-thiazole-5-carboxami N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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	7.03	-16.44	2	7	0	91	416.478	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.26	5.38	-56.27	1	7	-1	98	415.47	4	↓ MOL2 SDF SMILES Flexibase

52818667

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-(1,1,3,3-tetramethylbutyl)propanamide 3-(1,3-dioxo-2,4-diazaspiro[4.5]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	7.2	-9.59	2	6	0	79	351.491	6	↓ MOL2 SDF SMILES Flexibase

52841319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-3-(2-furyl)-1-methyl-propyl]-2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-[(1S)-3-(2-furyl)-1-methyl-pro…

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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)	2.66	7.57	-16.13	1	7	0	83	361.442	6	↓ MOL2 SDF SMILES Flexibase

52841322

Analogs

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Popular Name: N-[(1R)-3-(2-furyl)-1-methyl-propyl]-2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-[(1R)-3-(2-furyl)-1-methyl-pro…

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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)	2.66	7.57	-15.49	1	7	0	83	361.442	6	↓ MOL2 SDF SMILES Flexibase

52842174

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-[(1-ethylbenzimidazol-2-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	8.14	-17.16	1	8	0	88	397.479	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.44	8.63	-35.15	2	8	1	89	398.487	5	↓ MOL2 SDF SMILES Flexibase

52842996

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]propanamide 3-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	2.07	7.16	-42.55	3	7	1	83	379.525	7	↓ MOL2 SDF SMILES Flexibase

52842997

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]propanamide 3-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	2.07	7.16	-42.58	3	7	1	83	379.525	7	↓ MOL2 SDF SMILES Flexibase

52843159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]acetamid 2-(4-methyl-1,3-dioxo-2,4-diazas…

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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	8.32	-44.93	2	7	1	74	379.525	6	↓ MOL2 SDF SMILES Flexibase

52843160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]acetamid 2-(4-methyl-1,3-dioxo-2,4-diazas…

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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	8.32	-44.91	2	7	1	74	379.525	6	↓ MOL2 SDF SMILES Flexibase

52843467

Analogs

36625355

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	1.78	6.89	-14.64	1	7	0	79	379.482	7	↓ MOL2 SDF SMILES Flexibase

52851661

Analogs

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Popular Name: N-[3-(benzimidazol-1-yl)propyl]-2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-[3-(benzimidazol-1-yl)propyl]-…

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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	9.24	-20.53	1	8	0	88	397.479	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.46	9.72	-45.71	2	8	1	89	398.487	6	↓ MOL2 SDF SMILES Flexibase

52857868

Analogs

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Popular Name: 2-(N-ethylanilino)-N-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide 2-(N-ethylanilino)-N-(8-methyl-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	7.12	-15.92	2	7	0	82	358.442	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	5.56	-54.8	1	7	-1	88	357.434	5	↓ MOL2 SDF SMILES Flexibase

52876178

Analogs

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Popular Name: N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-2-(N-ethyl-2-methyl-anilino)acetamide N-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	2.74	7.81	-15.88	2	7	0	82	358.442	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	6.37	-56.22	1	7	-1	88	357.434	5	↓ MOL2 SDF SMILES Flexibase

52876410

Analogs

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Popular Name: 2-(N-ethyl-2-methyl-anilino)-N-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide 2-(N-ethyl-2-methyl-anilino)-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)	2.51	8.42	-15.68	2	7	0	82	372.469	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	6.98	-55.73	1	7	-1	88	371.461	5	↓ MOL2 SDF SMILES Flexibase

52895001

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[2-methyl-2-(1-piperidyl)propyl]propanamide 3-(1,3-dioxo-2,4-diazaspiro[4.5]…

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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)	2.28	7.02	-39.89	3	7	1	83	379.525	6	↓ MOL2 SDF SMILES Flexibase

52918784

Analogs

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Popular Name: 2-[2-(2-aminophenyl)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-(2-aminophenyl)ethyl]-2,4-d…

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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	5.35	-6.42	3	5	0	75	287.363	3	↓ MOL2 SDF SMILES Flexibase

52953837

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide N-[(1-ethylbenzimidazol-2-yl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	7.2	-15.95	2	8	0	96	397.479	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	7.69	-34.73	3	8	1	98	398.487	5	↓ MOL2 SDF SMILES Flexibase

52955230

Analogs

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Popular Name: 2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]acetamid 2-(8-methyl-1,3-dioxo-2,4-diazas…

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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)	2.07	7.38	-44.13	3	7	1	83	379.525	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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