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ZINC Item

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7148993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1-indan-5-yl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-(1-indan-5-yl-2,5-dimethyl-…

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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)	3.05	11.85	-13.47	1	6	0	71	405.498	4	↓ MOL2 SDF SMILES Flexibase

7149871

Analogs

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Popular Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(2-methoxyphenyl)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)	1.86	-3.98	-13.09	1	8	0	82	400.479	5	↓ MOL2 SDF SMILES Flexibase

7149983

Analogs

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Popular Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(4-fluorophenyl)piperazi…

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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)	2.02	6.02	-13.11	1	7	0	73	388.443	4	↓ MOL2 SDF SMILES Flexibase

7150021

Analogs

26032044

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(3-chlorophenyl)piperazi…

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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	6.47	-12.03	1	7	0	73	404.898	4	↓ MOL2 SDF SMILES Flexibase

7150265

Analogs

15708610

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(1,3-dioxo-2,4-diazaspiro[4.4]non-2-yl)-propanehydrazi N'-[2-(3,4-dihydro-2H-quinolin-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)	1.34	3.94	-17.26	3	9	0	111	413.478	6	↓ MOL2 SDF SMILES Flexibase

7150366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[4-(3-methoxyphenyl)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)	1.89	5.25	-13.39	1	8	0	82	400.479	5	↓ MOL2 SDF SMILES Flexibase

8980971

Analogs

8980976

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Popular Name: 2-[2-[(3-benzothiazol-2-yl-1-piperidyl)carbonyl]ethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[(3-benzothiazol-2-yl-1-pip…

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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	-4.18	-18.04	1	7	0	82	426.542	4	↓ MOL2 SDF SMILES Flexibase

8980976

Analogs

8980971

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Popular Name: 2-[2-[(3-benzothiazol-2-yl-1-piperidyl)carbonyl]ethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[(3-benzothiazol-2-yl-1-pip…

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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	-4.19	-16.44	1	7	0	82	426.542	4	↓ MOL2 SDF SMILES Flexibase

10497384

Analogs

20823087
20823090

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Popular Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[[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)	2.28	-4.8	-11.24	1	7	0	88	391.225	3	↓ MOL2 SDF SMILES Flexibase

10497391

Analogs

10536877

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Popular Name: 2-[(2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-4-yl)methyl]-2,4-diazaspiro[4.4]nonane-1,3-dio 2-[(2-oxo-1,5-diazabicyclo[4.4.0…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.40	-2.03	-17.8	1	7	0	83	312.329	2	↓ MOL2 SDF SMILES Flexibase

10497393

Analogs

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Popular Name: 4-[(1,3-dioxo-2,4-diazaspiro[4.4]non-2-yl)methyl]-3-fluoro-benzonitrile 4-[(1,3-dioxo-2,4-diazaspiro[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)	1.89	0.57	-9.49	1	5	0	73	287.294	2	↓ MOL2 SDF SMILES Flexibase

10497394

Analogs

10536938

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[(1,3-dimethyl-2,6-dioxo-pyrim…

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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)	-0.20	-1.99	-12	1	8	0	93	306.322	2	↓ MOL2 SDF SMILES Flexibase

10972388

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.4]non-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-prop 3-(1,3-dioxo-2,4-diazaspiro[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)	3.85	-1.3	-19.14	2	7	0	91	466.485	7	↓ MOL2 SDF SMILES Flexibase

45619043

Analogs

45619046

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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)	1.85	3.68	-13.35	2	8	0	105	362.382	7	↓ MOL2 SDF SMILES Flexibase

45619046

Analogs

45619043

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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)	1.85	3.7	-13.16	2	8	0	105	362.382	7	↓ MOL2 SDF SMILES Flexibase

52843426

Analogs

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)acetamide 2-(1,3-dioxo-2,4-diazaspiro[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)	1.28	6	-14.98	1	7	0	79	365.455	7	↓ MOL2 SDF SMILES Flexibase

52918786

Analogs

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Popular Name: 2-[2-(2-aminophenyl)ethyl]-2,4-diazaspiro[4.4]nonane-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)	1.88	4.46	-6.89	3	5	0	75	273.336	3	↓ MOL2 SDF SMILES Flexibase

53299276

Analogs

7988935

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Popular Name: 8-(3-oxo-3-piperazin-1-yl-propyl)-6,8-diazaspiro[4.4]nonane-7,9-dione 8-(3-oxo-3-piperazin-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)	-0.44	2.6	-51.63	3	7	1	86	295.363	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.44	1.3	-11.64	2	7	0	82	294.355	3	↓ MOL2 SDF SMILES Flexibase

18002900

Analogs

3457472

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)acetyl]-methyl-amino]-N-(4-methoxyphenyl)acetamide 2-[[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)	1.22	4.45	-22.6	2	9	0	108	388.424	6	↓ MOL2 SDF SMILES Flexibase

19441299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-oxo-2-piperazin-1-yl-ethyl)-6,8-diazaspiro[4.4]nonane-7,9-dione 8-(2-oxo-2-piperazin-1-yl-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)	-0.71	0.77	-15.77	2	7	0	82	280.328	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.71	2.14	-56.86	3	7	1	86	281.336	2	↓ MOL2 SDF SMILES Flexibase

53353491

Analogs

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Popular Name: ethyl 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)	2.78	7.17	-17.4	2	8	0	105	385.42	7	↓ MOL2 SDF SMILES Flexibase

53357230

Analogs

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Popular Name: 2-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[(2S)-2-(1H-benzimidazol-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)	1.58	6.13	-22.57	2	8	0	98	381.436	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.58	6.63	-32.53	3	8	1	100	382.444	3	↓ MOL2 SDF SMILES Flexibase

53357232

Analogs

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Popular Name: 2-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione 2-[2-[(2R)-2-(1H-benzimidazol-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)	1.58	6.12	-22.09	2	8	0	98	381.436	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.58	6.63	-32.97	3	8	1	100	382.444	3	↓ MOL2 SDF SMILES Flexibase

19453839

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-(2-isopropyl-1,3-benzothiazol-6-yl)propanamide 3-(1,3-dioxo-2,4-diazaspiro[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)	2.90	6.3	-20.12	2	7	0	91	400.504	5	↓ MOL2 SDF SMILES Flexibase

19455743

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-[(1S)-3-(4-fluorophenyl)-1-methyl-propyl]propanamide 3-(1,3-dioxo-2,4-diazaspiro[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)	2.84	7.46	-16.69	2	6	0	79	375.444	7	↓ MOL2 SDF SMILES Flexibase

19455745

Analogs

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Popular Name: 3-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-[(1R)-3-(4-fluorophenyl)-1-methyl-propyl]propanamide 3-(1,3-dioxo-2,4-diazaspiro[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)	2.84	7.46	-16.77	2	6	0	79	375.444	7	↓ MOL2 SDF SMILES Flexibase

19864304

Analogs

19864307
34938323
34938324
37370718
37370719

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-hydroxy-3-methylamino-propyl]-2,4-diazaspiro[4.4]nonane-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)	-0.21	-0.52	-40.04	4	6	1	86	242.299	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.21	-2.08	-10.56	3	6	0	82	241.291	4	↓ MOL2 SDF SMILES Flexibase

19864307

Analogs

34938323
34938324
37370718
37370719
37370720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-hydroxy-3-methylamino-propyl]-2,4-diazaspiro[4.4]nonane-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)	-0.21	-0.33	-39.56	4	6	1	86	242.299	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.21	-1.83	-9.35	3	6	0	82	241.291	4	↓ MOL2 SDF SMILES Flexibase

53382518

Analogs

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Popular Name: 8-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxo-ethyl]-6,8-diazaspir 8-[2-[(4aS,7aS)-3,4a,5,6,7,7a-he…

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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)	0.72	3.91	-13.34	1	7	0	79	321.377	2	↓ MOL2 SDF SMILES Flexibase

53382521

Analogs

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Popular Name: 8-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxo-ethyl]-6,8-diazaspir 8-[2-[(4aS,7aR)-3,4a,5,6,7,7a-he…

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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)	0.72	4.1	-13.85	1	7	0	79	321.377	2	↓ MOL2 SDF SMILES Flexibase

53382523

Analogs

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Popular Name: 8-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxo-ethyl]-6,8-diazaspir 8-[2-[(4aR,7aS)-3,4a,5,6,7,7a-he…

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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)	0.72	4.15	-13.98	1	7	0	79	321.377	2	↓ MOL2 SDF SMILES Flexibase

53382525

Analogs

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Popular Name: 8-[2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxo-ethyl]-6,8-diazaspir 8-[2-[(4aR,7aR)-3,4a,5,6,7,7a-he…

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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)	0.72	3.89	-13.58	1	7	0	79	321.377	2	↓ MOL2 SDF SMILES Flexibase

20004728

Analogs

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Popular Name: 4-[(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)methyl]benzenecarbothioamide 4-[(1,3-dioxo-2,4-diazaspiro[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)	1.84	4.94	-19.73	3	5	0	75	303.387	3	↓ MOL2 SDF SMILES Flexibase

53473252

Analogs

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Popular Name: 4-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-(1-phenylcyclobutyl)butanamide 4-(1,3-dioxo-2,4-diazaspiro[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)	2.62	7.45	-15.18	2	6	0	79	369.465	6	↓ MOL2 SDF SMILES Flexibase

53476836

Analogs

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Popular Name: 4-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-[(1S)-indan-1-yl]butanamide 4-(1,3-dioxo-2,4-diazaspiro[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)	2.14	6.9	-16.15	2	6	0	79	355.438	5	↓ MOL2 SDF SMILES Flexibase

53476838

Analogs

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Popular Name: 4-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-[(1R)-indan-1-yl]butanamide 4-(1,3-dioxo-2,4-diazaspiro[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)	2.14	6.83	-15.97	2	6	0	79	355.438	5	↓ MOL2 SDF SMILES Flexibase

53496496

Analogs

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Popular Name: 4-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-methoxy-butanamide 4-(1,3-dioxo-2,4-diazaspiro[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)	0.25	2.81	-17.91	2	7	0	88	269.301	5	↓ MOL2 SDF SMILES Flexibase

71790871

Analogs

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Popular Name: 6-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride 6-(aminomethyl)-1,3-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)	-0.93	-2.86	-49.01	5	5	1	86	184.219	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.74	-5.39	-54.85	4	5	0	92	183.211	1	↓ MOL2 SDF SMILES Flexibase

71790872

Analogs

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Popular Name: 6-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride 6-(aminomethyl)-1,3-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)	-0.93	-2.1	-52.27	5	5	1	86	184.219	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.74	-4.73	-62.84	4	5	0	92	183.211	1	↓ MOL2 SDF SMILES Flexibase

71790873

Analogs

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Popular Name: 6-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride 6-(aminomethyl)-1,3-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)	-0.93	-2.1	-53.85	5	5	1	86	184.219	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.74	-4.73	-66.17	4	5	0	92	183.211	1	↓ MOL2 SDF SMILES Flexibase

71790874

Analogs

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Popular Name: 6-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride 6-(aminomethyl)-1,3-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)	-0.93	-2.83	-49.66	5	5	1	86	184.219	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.74	-5.41	-55.87	4	5	0	92	183.211	1	↓ MOL2 SDF SMILES Flexibase

53557280

Analogs

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Popular Name: N-[2-(benzenesulfonyl)ethyl]-4-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)butanamide N-[2-(benzenesulfonyl)ethyl]-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)	0.79	3.43	-24.73	2	8	0	113	407.492	8	↓ MOL2 SDF SMILES Flexibase

20899867

Analogs

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Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)butanamide N-[3,5-bis(trifluoromethyl)pheny…

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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	7.5	-19.01	2	6	0	79	451.367	7	↓ MOL2 SDF SMILES Flexibase

36329899

Analogs

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Popular Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[3-(1,3-dioxo-2,4-diaza (2S)-2-[(5,6-dimethyl-4-oxo-3H-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)	2.02	6.55	-24.77	3	9	0	124	491.639	8	↓ MOL2 SDF SMILES Flexibase

36329900

Analogs

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Popular Name: (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[3-(1,3-dioxo-2,4-diaza (2R)-2-[(5,6-dimethyl-4-oxo-3H-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)	2.02	6.55	-24.76	3	9	0	124	491.639	8	↓ MOL2 SDF SMILES Flexibase

36329901

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-N-[3-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)propyl]-6-oxo-4,5-dihydropyrida 1-(2,5-dimethylphenyl)-N-[3-(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)	2.21	7.18	-15.01	2	9	0	111	439.516	6	↓ MOL2 SDF SMILES Flexibase

36329902

Analogs

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Popular Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[3-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)propyl]benzamide 4-(2,5-dimethylpyrrol-1-yl)-N-[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)	2.44	8.94	-13.82	2	7	0	83	408.502	6	↓ MOL2 SDF SMILES Flexibase

36637064

Analogs

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Popular Name: 3-[[2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-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)	0.99	2.63	-25.81	3	8	0	108	344.371	4	↓ MOL2 SDF SMILES Flexibase

12535977

Analogs

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Popular Name: N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]-2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)ace N-[3-[(2,4-dimethylphenyl)sulfam…

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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)	3.78	6.53	-18.68	3	9	0	125	484.578	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.78	6.61	-50.72	2	9	-1	127	483.57	6	↓ MOL2 SDF SMILES Flexibase

22700597

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-3-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)propanam N-[(2R)-2-diethylamino-2-(3-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)	2.42	7.76	-48.4	3	8	1	92	431.557	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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