ZINC 12

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ZINC Item

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68898097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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)	0.97	5.56	-34.96	2	3	1	39	193.27	4	↓ MOL2 SDF SMILES Flexibase

68898101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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)	0.97	5.53	-46.45	2	3	1	39	193.27	4	↓ MOL2 SDF SMILES Flexibase

68898109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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	6.59	-33.63	2	3	1	39	207.297	5	↓ MOL2 SDF SMILES Flexibase

68898112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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	6.54	-45.84	2	3	1	39	207.297	5	↓ MOL2 SDF SMILES Flexibase

68898116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]pyridin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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)	0.06	4.01	-52.44	3	3	1	50	179.243	3	↓ MOL2 SDF SMILES Flexibase

68898122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]pyridin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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)	0.06	4.39	-37.8	3	3	1	50	179.243	3	↓ MOL2 SDF SMILES Flexibase

68898133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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	7.35	-33.95	2	3	1	39	221.324	6	↓ MOL2 SDF SMILES Flexibase

68898138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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	7.29	-46.69	2	3	1	39	221.324	6	↓ MOL2 SDF SMILES Flexibase

68899485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-6-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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)	1.12	5.78	-48.47	2	3	1	39	207.297	4	↓ MOL2 SDF SMILES Flexibase

68899490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-6-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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)	1.12	6.14	-32.68	2	3	1	39	207.297	4	↓ MOL2 SDF SMILES Flexibase

68899497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-6-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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)	1.50	6.72	-33.04	2	3	1	39	221.324	5	↓ MOL2 SDF SMILES Flexibase

68899502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-6-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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)	1.50	6.83	-32.8	2	3	1	39	221.324	5	↓ MOL2 SDF SMILES Flexibase

68899525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]-6-methyl-pyridin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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)	0.22	4.48	-37.28	3	3	1	50	193.27	3	↓ MOL2 SDF SMILES Flexibase

68899528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]-6-methyl-pyridin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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)	0.22	4.73	-36.06	3	3	1	50	193.27	3	↓ MOL2 SDF SMILES Flexibase

68900575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-4-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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)	1.37	6.11	-50.12	2	3	1	39	207.297	4	↓ MOL2 SDF SMILES Flexibase

68900579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-4-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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)	1.37	6.47	-34.48	2	3	1	39	207.297	4	↓ MOL2 SDF SMILES Flexibase

68900583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-4-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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)	1.74	7.25	-33.77	2	3	1	39	221.324	5	↓ MOL2 SDF SMILES Flexibase

68900586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-4-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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)	1.74	7.2	-46.2	2	3	1	39	221.324	5	↓ MOL2 SDF SMILES Flexibase

68900590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]-4-methyl-pyridin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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)	0.46	4.68	-52.72	3	3	1	50	193.27	3	↓ MOL2 SDF SMILES Flexibase

68900594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]-4-methyl-pyridin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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)	0.46	5.05	-37.93	3	3	1	50	193.27	3	↓ MOL2 SDF SMILES Flexibase

68900706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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Activity (Go SEA)

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)	1.37	6.02	-45.7	2	3	1	39	207.297	4	↓ MOL2 SDF SMILES Flexibase

68900712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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Activity (Go SEA)

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)	1.37	6.48	-34.13	2	3	1	39	207.297	4	↓ MOL2 SDF SMILES Flexibase

68900717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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)	1.74	7.27	-33.5	2	3	1	39	221.324	5	↓ MOL2 SDF SMILES Flexibase

68900718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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)	1.74	7.22	-45.44	2	3	1	39	221.324	5	↓ MOL2 SDF SMILES Flexibase

68900727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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)	0.46	4.69	-51.9	3	3	1	50	193.27	3	↓ MOL2 SDF SMILES Flexibase

68900730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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)	0.46	5.07	-37.57	3	3	1	50	193.27	3	↓ MOL2 SDF SMILES Flexibase

68909888

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]pyridin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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)	0.55	3.28	-13.8	1	3	0	42	179.219	3	↓ MOL2 SDF SMILES Flexibase

68909893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]pyridin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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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)	0.55	4.11	-11.64	1	3	0	42	179.219	3	↓ MOL2 SDF SMILES Flexibase

68910156

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-6-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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	3.65	-11.28	1	3	0	42	193.246	3	↓ MOL2 SDF SMILES Flexibase

68910162

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-6-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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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	4.52	-11.2	1	3	0	42	193.246	3	↓ MOL2 SDF SMILES Flexibase

68910363

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-4-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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)	0.95	3.94	-14.04	1	3	0	42	193.246	3	↓ MOL2 SDF SMILES Flexibase

68910367

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-4-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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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)	0.95	4.76	-11.83	1	3	0	42	193.246	3	↓ MOL2 SDF SMILES Flexibase

68910395

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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)	0.95	3.95	-13.43	1	3	0	42	193.246	3	↓ MOL2 SDF SMILES Flexibase

68910398

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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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)	0.95	4.83	-11.14	1	3	0	42	193.246	3	↓ MOL2 SDF SMILES Flexibase

69077726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-6-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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)	2.00	7.65	-33.63	2	3	1	39	235.351	6	↓ MOL2 SDF SMILES Flexibase

69077729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-6-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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)	2.00	7.82	-32.96	2	3	1	39	235.351	6	↓ MOL2 SDF SMILES Flexibase

69079019

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-4-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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	8	-34.07	2	3	1	39	235.351	6	↓ MOL2 SDF SMILES Flexibase

69079021

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-4-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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	7.95	-46.99	2	3	1	39	235.351	6	↓ MOL2 SDF SMILES Flexibase

69079168

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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	8.02	-33.7	2	3	1	39	235.351	6	↓ MOL2 SDF SMILES Flexibase

69079171

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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	7.97	-46.26	2	3	1	39	235.351	6	↓ MOL2 SDF SMILES Flexibase

69079304

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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	6.52	-36.98	2	3	1	39	261.267	5	↓ MOL2 SDF SMILES Flexibase

69079306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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	6.5	-44.51	2	3	1	39	261.267	5	↓ MOL2 SDF SMILES Flexibase

69079313

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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	7.55	-35.55	2	3	1	39	275.294	6	↓ MOL2 SDF SMILES Flexibase

69079316

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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	7.5	-43.98	2	3	1	39	275.294	6	↓ MOL2 SDF SMILES Flexibase

69079325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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)	1.23	5.15	-39.71	3	3	1	50	247.24	4	↓ MOL2 SDF SMILES Flexibase

69079328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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)	1.23	5.17	-50.16	3	3	1	50	247.24	4	↓ MOL2 SDF SMILES Flexibase

69079337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	8.3	-36	2	3	1	39	289.321	7	↓ MOL2 SDF SMILES Flexibase

69079341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	8.25	-44.74	2	3	1	39	289.321	7	↓ MOL2 SDF SMILES Flexibase

69093631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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)	1.72	4.95	-8.35	1	3	0	42	247.216	4	↓ MOL2 SDF SMILES Flexibase

69093633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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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)	1.72	4.46	-9.75	1	3	0	42	247.216	4	↓ MOL2 SDF SMILES Flexibase

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