ZINC 12

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ZINC Item

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19447435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-(2-isobutylquinoline-4-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-(2-isobutylquinoline-4-carbon…

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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)	3.84	8.76	-18.21	2	6	0	74	428.536	3	↓ MOL2 SDF SMILES Flexibase

19455148

Analogs

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Popular Name: 1'-[(3S)-3-(benzotriazol-1-yl)butanoyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[(3S)-3-(benzotriazol-1-yl)bu…

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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	6.12	-19.04	2	8	0	92	404.474	3	↓ MOL2 SDF SMILES Flexibase

19455150

Analogs

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Popular Name: 1'-[(3R)-3-(benzotriazol-1-yl)butanoyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[(3R)-3-(benzotriazol-1-yl)bu…

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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	6.02	-18.32	2	8	0	92	404.474	3	↓ MOL2 SDF SMILES Flexibase

57731560

Analogs

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Popular Name: 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-(1-phenylcyclopentanecarbonyl…

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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	8.77	-14.6	2	5	0	61	389.499	2	↓ MOL2 SDF SMILES Flexibase

57731563

Analogs

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Popular Name: 1'-[2-(4-ethoxyphenyl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[2-(4-ethoxyphenyl)acetyl]spi…

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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	6.99	-16.97	2	6	0	71	379.46	4	↓ MOL2 SDF SMILES Flexibase

57731568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[2-(3,4,5-trimethoxyphenyl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[2-(3,4,5-trimethoxyphenyl)ac…

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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)	2.04	5.96	-24.49	2	8	0	89	425.485	5	↓ MOL2 SDF SMILES Flexibase

57731573

Analogs

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Popular Name: 1'-[(2S)-2-phenylpropanoyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[(2S)-2-phenylpropanoyl]spiro…

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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	7.1	-13.3	2	5	0	61	349.434	2	↓ MOL2 SDF SMILES Flexibase

57731578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[(2R)-2-phenylpropanoyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[(2R)-2-phenylpropanoyl]spiro…

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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	7.19	-15.42	2	5	0	61	349.434	2	↓ MOL2 SDF SMILES Flexibase

57731584

Analogs

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Popular Name: 1'-(1-phenylcyclopropanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-(1-phenylcyclopropanecarbonyl…

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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)	2.64	7.68	-16.12	2	5	0	61	361.445	2	↓ MOL2 SDF SMILES Flexibase

57731587

Analogs

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Popular Name: 1'-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-(4,5,6,7-tetrahydrobenzothiop…

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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	7.36	-15.97	2	5	0	61	381.501	1	↓ MOL2 SDF SMILES Flexibase

57731593

Analogs

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Popular Name: 1'-[2-(3,4-dichlorophenyl)acetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[2-(3,4-dichlorophenyl)acetyl…

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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)	3.69	7.82	-15.66	2	5	0	61	404.297	2	↓ MOL2 SDF SMILES Flexibase

57731891

Analogs

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Popular Name: 6-bromo-1'-(pyrazine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 6-bromo-1'-(pyrazine-2-carbonyl)…

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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	3.63	-14.53	2	7	0	87	402.252	1	↓ MOL2 SDF SMILES Flexibase

60021915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-methyl-1-[2-(4-phenylpiperazi…

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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)	3.14	9.26	-52.34	2	6	1	43	420.581	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.14	11.48	-126.05	3	6	2	44	421.589	4	↓ MOL2 SDF SMILES Flexibase

69055626

Analogs

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Popular Name: 3-allyl-1'-benzyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-allyl-1'-benzyl-spiro[1H-quina…

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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)	3.10	10.76	-55.52	2	4	1	37	348.47	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.10	8.53	-9.51	1	4	0	36	347.462	4	↓ MOL2 SDF SMILES Flexibase

69055662

Analogs

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Popular Name: 1'-benzyl-3-cyclopropyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 1'-benzyl-3-cyclopropyl-spiro[1H…

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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)	2.82	10.93	-56.97	2	4	1	37	348.47	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.82	8.69	-10.2	1	4	0	36	347.462	3	↓ MOL2 SDF SMILES Flexibase

66738625

Analogs

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Popular Name: 3-isobutyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-isobutyl-1'-(4-pyridylmethyl)s…

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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	9.76	-61.37	2	5	1	50	365.501	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	7.43	-11.42	1	5	0	48	364.493	4	↓ MOL2 SDF SMILES Flexibase

66738666

Analogs

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Popular Name: 3-allyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-allyl-1'-(4-pyridylmethyl)spir…

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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)	1.81	9	-61.89	2	5	1	50	349.458	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.81	6.76	-11.88	1	5	0	48	348.45	4	↓ MOL2 SDF SMILES Flexibase

66738670

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	2.73	8.1	-11.87	1	6	0	62	357.454	4	↓ MOL2 SDF SMILES Flexibase

66738956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[(2-chloro-6-fluoro-phenyl)methyl]-8-methyl-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-[(2-chloro-6-fluoro-phenyl)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)	2.89	8.85	-42.07	3	4	1	46	374.867	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.89	6.6	-9.95	2	4	0	44	373.859	2	↓ MOL2 SDF SMILES Flexibase

66739172

Analogs

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Popular Name: 7-chloro-3-methyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 7-chloro-3-methyl-1'-(4-pyridylm…

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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)	1.82	7.62	-55.45	2	5	1	50	357.865	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.82	5.37	-9.65	1	5	0	48	356.857	2	↓ MOL2 SDF SMILES Flexibase

66739482

Analogs

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Popular Name: tert-butyl tert-butyl

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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	5.36	-12.24	2	6	0	71	351.834	2	↓ MOL2 SDF SMILES Flexibase

66739813

Analogs

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Popular Name: 1'-cyclohexyl-6-methoxy-3-methyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 1'-cyclohexyl-6-methoxy-3-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)	2.99	8.1	-55.12	2	5	1	46	344.479	2	↓ MOL2 SDF SMILES Flexibase

66739814

Analogs

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Popular Name: 6-methoxy-3-methyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 6-methoxy-3-methyl-1'-(4-pyridyl…

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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)	1.20	6.32	-60.93	2	6	1	59	353.446	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.20	3.23	-18.73	1	6	0	58	352.438	3	↓ MOL2 SDF SMILES Flexibase

66741236

Analogs

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Popular Name: 3-cyclopropyl-6-methoxy-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-cyclopropyl-6-methoxy-1'-(4-py…

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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)	1.56	8.45	-65.11	2	6	1	59	379.484	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.56	6.22	-14.05	1	6	0	58	378.476	4	↓ MOL2 SDF SMILES Flexibase

69706557

Analogs

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Popular Name: 8-methyl-1'-(3-methylbut-2-enyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 8-methyl-1'-(3-methylbut-2-enyl)…

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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	7.53	-46.77	3	4	1	46	300.426	2	↓ MOL2 SDF SMILES Flexibase

69738948

Analogs

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Popular Name: 3-propyl-1'-prop-2-ynyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-propyl-1'-prop-2-ynyl-spiro[1H…

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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)	2.09	8.05	-51.49	2	4	1	37	298.41	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.09	5.37	-13.97	1	4	0	36	297.402	3	↓ MOL2 SDF SMILES Flexibase

69738952

Analogs

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Popular Name: 3-(2-furylmethyl)-1'-prop-2-ynyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-(2-furylmethyl)-1'-prop-2-ynyl…

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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)	1.87	8.39	-57.44	2	5	1	50	336.415	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.87	6.09	-13.83	1	5	0	49	335.407	3	↓ MOL2 SDF SMILES Flexibase

69739395

Analogs

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Popular Name: 1'-(cyclopropanecarbonyl)-3-propyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 1'-(cyclopropanecarbonyl)-3-prop…

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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	7.33	-12.12	1	5	0	53	327.428	3	↓ MOL2 SDF SMILES Flexibase

69772561

Analogs

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Popular Name: 6-methoxy-3-methyl-1'-(3-methylbut-2-enyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 6-methoxy-3-methyl-1'-(3-methylb…

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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)	2.76	7.74	-55.87	2	5	1	46	330.452	3	↓ MOL2 SDF SMILES Flexibase

69775297

Analogs

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Popular Name: 1'-cyclopentyl-1-methyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-cyclopentyl-1-methyl-spiro[3H…

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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	8.05	-46.06	2	4	1	37	300.426	1	↓ MOL2 SDF SMILES Flexibase

69812219

Analogs

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Popular Name: 3-isobutyl-1'-prop-2-ynyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-isobutyl-1'-prop-2-ynyl-spiro[…

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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)	2.34	8.56	-51.88	2	4	1	37	312.437	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.34	5.99	-14.39	1	4	0	36	311.429	3	↓ MOL2 SDF SMILES Flexibase

69842774

Analogs

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Popular Name: 1'-(cyclopropanecarbonyl)-3-cyclopropyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 1'-(cyclopropanecarbonyl)-3-cycl…

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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)	1.61	7.49	-11.75	1	5	0	53	325.412	2	↓ MOL2 SDF SMILES Flexibase

69842800

Analogs

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Popular Name: 3-allyl-1'-(cyclopropanecarbonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-allyl-1'-(cyclopropanecarbonyl…

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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	7.15	-11.84	1	5	0	53	325.412	3	↓ MOL2 SDF SMILES Flexibase

69893550

Analogs

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Popular Name: 7-chloro-1'-prop-2-ynyl-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 7-chloro-1'-prop-2-ynyl-spiro[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)	2.09	5.69	-51.57	3	4	1	46	290.774	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.09	3.42	-8.67	2	4	0	44	289.766	1	↓ MOL2 SDF SMILES Flexibase

69896958

Analogs

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Popular Name: 3-phenyl-1'-prop-2-ynyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-phenyl-1'-prop-2-ynyl-spiro[1H…

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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)	3.38	10.31	-50.09	2	4	1	37	332.427	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.38	8.05	-11.36	1	4	0	36	331.419	2	↓ MOL2 SDF SMILES Flexibase

67172755

Analogs

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Popular Name: 7'-chloro-1'-ethyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one 7'-chloro-1'-ethyl-1'H-spiro[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)	1.96	4.15	-55.75	3	4	1	49	280.779	1	↓ MOL2 SDF SMILES Flexibase

67172756

Analogs

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Popular Name: 1'-ethyl-6'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one 1'-ethyl-6'-fluoro-1'H-spiro[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)	1.44	4.16	-56.52	3	4	1	49	264.324	1	↓ MOL2 SDF SMILES Flexibase

67172757

Analogs

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Popular Name: 1'-ethyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one 1'-ethyl-1'H-spiro[piperidine-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)	1.30	4.09	-53.58	3	4	1	49	246.334	1	↓ MOL2 SDF SMILES Flexibase

67172758

Analogs

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Popular Name: 7'-chloro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one 7'-chloro-1'-methyl-1'H-spiro[pi…

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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	3.82	-53.02	3	4	1	49	266.752	0	↓ MOL2 SDF SMILES Flexibase

69950828

Analogs

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Popular Name: 1'-(cyclopropanecarbonyl)-3-isobutyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 1'-(cyclopropanecarbonyl)-3-isob…

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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)	2.37	7.88	-11.72	1	5	0	53	341.455	3	↓ MOL2 SDF SMILES Flexibase

70009845

Analogs

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Popular Name: 1'-(cyclopropanecarbonyl)-3-ethyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 1'-(cyclopropanecarbonyl)-3-ethy…

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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	6.57	-12.25	1	5	0	53	313.401	2	↓ MOL2 SDF SMILES Flexibase

67454164

Analogs

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Popular Name: 4-[(6-chloro-3-ethyl-4-oxo-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(6-chloro-3-ethyl-4-oxo-spiro…

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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)	3.24	10.64	-66.62	2	5	1	61	395.914	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	8.37	-13.62	1	5	0	59	394.906	3	↓ MOL2 SDF SMILES Flexibase

67454370

Analogs

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Popular Name: 6-chloro-1'-(2,2-dimethylpropanoyl)-3-ethyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 6-chloro-1'-(2,2-dimethylpropano…

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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	7.61	-13.86	1	5	0	53	363.889	2	↓ MOL2 SDF SMILES Flexibase

67454790

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Popular Name: tert-butyl tert-butyl

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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)	3.12	8	-13.57	1	6	0	62	379.888	3	↓ MOL2 SDF SMILES Flexibase

49410020

Analogs

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Popular Name: 1'-(3-chlorobenzoyl)-1,6-dimethyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-(3-chlorobenzoyl)-1,6-dimethy…

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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	8.45	-13.23	1	5	0	53	383.879	1	↓ MOL2 SDF SMILES Flexibase

49410021

Analogs

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Popular Name: 1'-(4-bromobenzoyl)-1,6-dimethyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-(4-bromobenzoyl)-1,6-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)	3.32	8.57	-12.31	1	5	0	53	428.33	1	↓ MOL2 SDF SMILES Flexibase

49410023

Analogs

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Popular Name: 1'-(1,3-benzodioxole-5-carbonyl)-1,6-dimethyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-(1,3-benzodioxole-5-carbonyl)…

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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	6.15	-20.28	1	7	0	71	393.443	1	↓ MOL2 SDF SMILES Flexibase

49410025

Analogs

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Popular Name: 1,6-dimethyl-1'-(3,4,5-trimethoxybenzoyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one 1,6-dimethyl-1'-(3,4,5-trimethox…

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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	7.07	-15.72	1	8	0	80	439.512	4	↓ MOL2 SDF SMILES Flexibase

49410027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-(3,5-dimethoxybenzoyl)-1,6-dimethyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-(3,5-dimethoxybenzoyl)-1,6-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)	2.55	6.55	-14.9	1	7	0	71	409.486	3	↓ MOL2 SDF SMILES Flexibase

49410029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-(3,4-dimethoxybenzoyl)-1,6-dimethyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one 1'-(3,4-dimethoxybenzoyl)-1,6-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)	2.16	7.16	-15.81	1	7	0	71	409.486	3	↓ 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

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 49736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
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