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ZINC Item

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19435526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetic 2-(2,4-dioxo-1,3-diazaspiro[4.7]…

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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)	0.50	4.42	-54.55	1	6	-1	90	253.278	2	↓ MOL2 SDF SMILES Flexibase

19436208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)propanethioamide 3-(2,4-dioxo-1,3-diazaspiro[4.7]…

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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)	1.35	4.12	-14.58	3	5	0	75	283.397	3	↓ MOL2 SDF SMILES Flexibase

19441887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)butanethioamide 4-(2,4-dioxo-1,3-diazaspiro[4.7]…

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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)	1.62	4.94	-17.65	3	5	0	75	297.424	4	↓ MOL2 SDF SMILES Flexibase

19864327

Analogs

19864330
37372161
37372163
19400824
19400827

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-hydroxy-3-methylamino-propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[(2R)-2-hydroxy-3-methylamino-…

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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)	1.30	0.84	-39.64	4	6	1	86	284.38	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.30	-0.73	-9.64	3	6	0	82	283.372	4	↓ MOL2 SDF SMILES Flexibase

19864330

Analogs

37372161
37372163
19864327
19400824
19400827

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-hydroxy-3-methylamino-propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[(2S)-2-hydroxy-3-methylamino-…

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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)	1.30	1.04	-39.13	4	6	1	86	284.38	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.30	-0.46	-8.49	3	6	0	82	283.372	4	↓ MOL2 SDF SMILES Flexibase

62542320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)propanal 3-(2,4-dioxo-1,3-diazaspiro[4.7]…

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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)	2.25	4.86	-9.45	1	5	0	66	252.314	3	↓ MOL2 SDF SMILES Flexibase

57918511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-[2-(o-tolyl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	3.97	8.17	-15.47	2	6	0	79	371.481	5	↓ MOL2 SDF SMILES Flexibase

57925879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)acetyl]amino]-N-methyl-benzamide 3-[[2-(1,3-dioxo-2,4-diazaspiro[…

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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	5.1	-26.58	3	8	0	108	386.452	4	↓ MOL2 SDF SMILES Flexibase

60568967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-methyl-N-[(1S)-tetralin-1-yl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	3.88	11.02	-14.78	1	6	0	70	397.519	3	↓ MOL2 SDF SMILES Flexibase

61312262

Analogs

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	3.43	9.99	-18.01	1	6	0	70	389.471	5	↓ MOL2 SDF SMILES Flexibase

61312332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-[2-(4-isopropylphenyl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	5.08	9.64	-15.14	2	6	0	79	399.535	6	↓ MOL2 SDF SMILES Flexibase

61312353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-[(1R)-1-methylhexyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	4.55	8.04	-13.55	2	6	0	79	351.491	7	↓ MOL2 SDF SMILES Flexibase

61312389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-pentyl-acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	3.71	6.25	-13.61	2	6	0	79	323.437	6	↓ MOL2 SDF SMILES Flexibase

14016109

Analogs

36708762
36725464
36725465
36760977
39544404

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	3.19	9.06	-13.11	1	6	0	70	363.502	3	↓ MOL2 SDF SMILES Flexibase

3594141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-diketo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-[3-(methylthio)phenyl]acetamide 2-(1,3-diketo-2,4-diazaspiro[4.7…

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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)	3.74	7.84	-14.63	2	6	0	79	375.494	4	↓ MOL2 SDF SMILES Flexibase

52569804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[4-(4-pyridyl)piperazin-1-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)	2.48	6.37	-34.16	2	7	1	70	372.493	3	↓ MOL2 SDF SMILES Flexibase

16874842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(6-methoxy-2-naphthyl)methyl-methyl-amino]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[(6-methoxy-2-naphthyl)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)	4.79	8.91	-10.03	1	6	0	62	409.53	5	↓ MOL2 SDF SMILES Flexibase

16878183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[methyl-[[4-(1-piperidyl)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)	4.59	7.42	-8.75	1	6	0	56	412.578	5	↓ MOL2 SDF SMILES Flexibase

16878343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide 4-[[(1,3-dioxo-2,4-diazaspiro[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)	2.77	5.49	-13.37	2	7	0	82	386.496	5	↓ MOL2 SDF SMILES Flexibase

16878670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[methyl-[(4-morpholinophenyl)methyl]amino]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[methyl-[(4-morpholinophenyl)…

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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)	3.53	7.19	-8.89	1	7	0	65	414.55	5	↓ MOL2 SDF SMILES Flexibase

52582618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)methyl-methyl-amino]acetamide N-tert-butyl-2-[(1,3-dioxo-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)	2.97	4.22	-12.73	2	7	0	82	352.479	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	6.46	-38.83	3	7	1	83	353.487	5	↓ MOL2 SDF SMILES Flexibase

52583505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[4-[(5-methylisoxazol-3-yl)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)	2.41	4.62	-10.85	1	8	0	82	389.5	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.41	6.9	-40.35	2	8	1	83	390.508	4	↓ MOL2 SDF SMILES Flexibase

65170510

Analogs

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Popular Name: 2-[(2R)-2-hydroxy-3-(4-methyl-1-piperidyl)propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[(2R)-2-hydroxy-3-(4-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)	2.70	6.58	-36.79	3	6	1	74	352.499	4	↓ MOL2 SDF SMILES Flexibase

55035606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[4-(3,3-dimethylbutyl)piperaz…

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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)	4.04	8.47	-36.38	2	6	1	57	379.569	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.04	6.21	-6.05	1	6	0	56	378.561	5	↓ MOL2 SDF SMILES Flexibase

55527163

Analogs

40040798
44896523

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-furyl)thiazol-4-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[2-(2-furyl)thiazol-4-yl]meth…

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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	6.39	-13.78	1	6	0	75	359.451	3	↓ MOL2 SDF SMILES Flexibase

66057543

Analogs

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Popular Name: 2-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[2-[(2S)-2-ethyl-1-piperidyl]-…

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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)	3.29	8.26	-12.78	1	6	0	70	349.475	3	↓ MOL2 SDF SMILES Flexibase

66057545

Analogs

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Popular Name: 2-[2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[2-[4-(difluoromethoxy)phenyl]…

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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)	3.92	7.92	-14.45	1	6	0	76	380.391	5	↓ MOL2 SDF SMILES Flexibase

66057577

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)acetamide N-[(1S)-1-(2-chlorophenyl)ethyl]…

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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)	4.36	8.26	-15.93	2	6	0	79	391.899	4	↓ MOL2 SDF SMILES Flexibase

67428105

Analogs

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Popular Name: 2-[[5-(2-thienyl)oxazol-2-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[5-(2-thienyl)oxazol-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)	3.79	5.89	-11.33	1	6	0	75	359.451	3	↓ MOL2 SDF SMILES Flexibase

48784668

Analogs

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Popular Name: 3-[2-(cyclopropylamino)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione 3-[2-(cyclopropylamino)ethyl]-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)	2.31	5.86	-37.11	3	5	1	66	280.392	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.31	4.57	-5.49	2	5	0	61	279.384	4	↓ MOL2 SDF SMILES Flexibase

48784670

Analogs

42409940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(tert-butylamino)ethyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[2-(tert-butylamino)ethyl]-2,4…

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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)	3.13	6.27	-35.9	3	5	1	66	296.435	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	5.03	-5.75	2	5	0	61	295.427	4	↓ MOL2 SDF SMILES Flexibase

48784672

Analogs

42409940

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Popular Name: 2-[2-(propylamino)ethyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[2-(propylamino)ethyl]-2,4-dia…

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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)	2.48	6.07	-39.04	3	5	1	66	282.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.48	4.72	-5.86	2	5	0	61	281.4	5	↓ MOL2 SDF SMILES Flexibase

48784674

Analogs

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Popular Name: 2-[3-(isopropylamino)propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[3-(isopropylamino)propyl]-2,4…

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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)	2.89	6.61	-37.51	3	5	1	66	296.435	5	↓ MOL2 SDF SMILES Flexibase

48784676

Analogs

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Popular Name: 3-[3-(cyclopropylamino)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione 3-[3-(cyclopropylamino)propyl]-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)	2.58	6.63	-37.76	3	5	1	66	294.419	5	↓ MOL2 SDF SMILES Flexibase

48784677

Analogs

42409940

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Popular Name: 2-[2-(ethylamino)ethyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[2-(ethylamino)ethyl]-2,4-diaz…

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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	5.31	-38.07	3	5	1	66	268.381	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	3.95	-5.92	2	5	0	61	267.373	4	↓ MOL2 SDF SMILES Flexibase

48784679

Analogs

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Popular Name: 2-[3-(methylamino)propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[3-(methylamino)propyl]-2,4-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)	2.22	5.23	-39.34	3	5	1	66	268.381	4	↓ MOL2 SDF SMILES Flexibase

48784681

Analogs

42409940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(isopropylamino)ethyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[2-(isopropylamino)ethyl]-2,4-…

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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)	2.62	5.85	-37.02	3	5	1	66	282.408	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	4.65	-5.72	2	5	0	61	281.4	4	↓ MOL2 SDF SMILES Flexibase

48784683

Analogs

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Popular Name: 2-[3-(propylamino)propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[3-(propylamino)propyl]-2,4-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)	2.75	6.83	-39.54	3	5	1	66	296.435	6	↓ MOL2 SDF SMILES Flexibase

48784685

Analogs

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Popular Name: 2-[3-(ethylamino)propyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[3-(ethylamino)propyl]-2,4-dia…

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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)	2.24	6.08	-38.67	3	5	1	66	282.408	5	↓ MOL2 SDF SMILES Flexibase

37287064

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	6.77	-11.46	1	6	0	76	296.367	5	↓ MOL2 SDF SMILES Flexibase

41634709

Analogs

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Popular Name: 2-prop-2-ynyl-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-prop-2-ynyl-2,4-diazaspiro[4.7…

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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)	2.32	5.74	-7.78	1	4	0	49	234.299	1	↓ MOL2 SDF SMILES Flexibase

37296357

Analogs

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Popular Name: 3-(3-bromopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione 3-(3-bromopropyl)-1,3-diazaspiro…

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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	6.54	-6.18	1	4	0	49	317.227	3	↓ MOL2 SDF SMILES Flexibase

41702317

Analogs

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Popular Name: 2-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[3-(m-tolyl)-1,2,4-oxadiazol-…

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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)	4.09	7.41	-12.71	1	7	0	88	368.437	3	↓ MOL2 SDF SMILES Flexibase

42082708

Analogs

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.7]dodecan-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.7]…

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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)	3.81	8.98	-14.13	2	6	0	79	383.492	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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