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ZINC Item

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70330332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-fluoro-4-hydroxy-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3-fluoro-4-hydroxy-anili…

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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	4.46	-11.17	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

70330334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-fluoro-4-hydroxy-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3-fluoro-4-hydroxy-anili…

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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	4.65	-9.71	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

37184802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(5-chloro-2-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(5-chloro-2-methyl-anilin…

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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)	3.27	8.56	-7.59	1	3	0	32	300.789	2	↓ MOL2 SDF SMILES Flexibase

37184803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(5-chloro-2-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(5-chloro-2-methyl-anilin…

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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)	3.27	8.77	-7.96	1	3	0	32	300.789	2	↓ MOL2 SDF SMILES Flexibase

37185267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-ethynylanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3-ethynylanilino)-1-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)	1.95	8.45	-10.26	1	3	0	32	276.339	2	↓ MOL2 SDF SMILES Flexibase

37185268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-ethynylanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3-ethynylanilino)-1-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)	1.95	8.64	-8.56	1	3	0	32	276.339	2	↓ MOL2 SDF SMILES Flexibase

37185455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-4-(3-methylanilino)-3,4-dihydroquinolin-2-one (4R)-1-methyl-4-(3-methylanilino…

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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	7.93	-7.97	1	3	0	32	266.344	2	↓ MOL2 SDF SMILES Flexibase

37185456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-4-(3-methylanilino)-3,4-dihydroquinolin-2-one (4S)-1-methyl-4-(3-methylanilino…

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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	8.12	-7.08	1	3	0	32	266.344	2	↓ MOL2 SDF SMILES Flexibase

37186164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-anilino-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-anilino-1-methyl-3,4-dihy…

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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	7.26	-7.87	1	3	0	32	252.317	2	↓ MOL2 SDF SMILES Flexibase

37186165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-anilino-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-anilino-1-methyl-3,4-dihy…

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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	7.45	-7.05	1	3	0	32	252.317	2	↓ MOL2 SDF SMILES Flexibase

37188229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,5-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(2,5-dichloroanilino)-1-m…

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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)	3.50	8.35	-7.7	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37188230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2,5-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(2,5-dichloroanilino)-1-m…

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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)	3.50	8.56	-6.28	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37188411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-4-(3-methylsulfanylanilino)-3,4-dihydroquinolin-2-one (4R)-1-methyl-4-(3-methylsulfany…

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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	8.28	-9.56	1	3	0	32	298.411	3	↓ MOL2 SDF SMILES Flexibase

37188412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-4-(3-methylsulfanylanilino)-3,4-dihydroquinolin-2-one (4S)-1-methyl-4-(3-methylsulfany…

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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	8.47	-7.65	1	3	0	32	298.411	3	↓ MOL2 SDF SMILES Flexibase

37188593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-chloro-4-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3-chloro-4-methyl-anilin…

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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)	3.27	8.36	-7.66	1	3	0	32	300.789	2	↓ MOL2 SDF SMILES Flexibase

37188594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-chloro-4-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3-chloro-4-methyl-anilin…

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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)	3.27	8.55	-8.11	1	3	0	32	300.789	2	↓ MOL2 SDF SMILES Flexibase

37189078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-bromo-4-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(2-bromo-4-methyl-anilino…

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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)	3.40	8.65	-8.83	1	3	0	32	345.24	2	↓ MOL2 SDF SMILES Flexibase

37189079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-bromo-4-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(2-bromo-4-methyl-anilino…

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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)	3.40	8.83	-6.35	1	3	0	32	345.24	2	↓ MOL2 SDF SMILES Flexibase

37189284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-methoxyanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(2-methoxyanilino)-1-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)	2.22	6.67	-9.54	1	4	0	42	282.343	3	↓ MOL2 SDF SMILES Flexibase

37189285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-methoxyanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(2-methoxyanilino)-1-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)	2.22	6.87	-7.48	1	4	0	42	282.343	3	↓ MOL2 SDF SMILES Flexibase

37196751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-chloro-2-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3-chloro-2-methyl-anilin…

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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)	3.25	8.48	-8.57	1	3	0	32	300.789	2	↓ MOL2 SDF SMILES Flexibase

37196752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-chloro-2-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3-chloro-2-methyl-anilin…

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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)	3.25	8.68	-7.04	1	3	0	32	300.789	2	↓ MOL2 SDF SMILES Flexibase

37196917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,4-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(2,4-dichloroanilino)-1-m…

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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)	3.50	8.35	-8.84	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37196918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2,4-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(2,4-dichloroanilino)-1-m…

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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)	3.50	8.55	-6.23	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37197092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-bromo-2-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(4-bromo-2-methyl-anilino…

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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)	3.40	8.66	-8	1	3	0	32	345.24	2	↓ MOL2 SDF SMILES Flexibase

37197093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-bromo-2-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(4-bromo-2-methyl-anilino…

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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)	3.40	8.86	-7.43	1	3	0	32	345.24	2	↓ MOL2 SDF SMILES Flexibase

37197716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-4-(4-methylsulfanylanilino)-3,4-dihydroquinolin-2-one (4R)-1-methyl-4-(4-methylsulfany…

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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)	2.65	8.27	-8.8	1	3	0	32	298.411	3	↓ MOL2 SDF SMILES Flexibase

37197717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-4-(4-methylsulfanylanilino)-3,4-dihydroquinolin-2-one (4S)-1-methyl-4-(4-methylsulfany…

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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)	2.65	8.47	-8.47	1	3	0	32	298.411	3	↓ MOL2 SDF SMILES Flexibase

37198489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,5-difluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(2,5-difluoroanilino)-1-m…

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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)	2.47	7.42	-8.52	1	3	0	32	288.297	2	↓ MOL2 SDF SMILES Flexibase

37198490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2,5-difluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(2,5-difluoroanilino)-1-m…

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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)	2.47	7.61	-7.01	1	3	0	32	288.297	2	↓ MOL2 SDF SMILES Flexibase

37198679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-bromo-2-fluoro-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(4-bromo-2-fluoro-anilino…

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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	7.97	-9.38	1	3	0	32	349.203	2	↓ MOL2 SDF SMILES Flexibase

37198680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-bromo-2-fluoro-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(4-bromo-2-fluoro-anilino…

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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	8.16	-6.58	1	3	0	32	349.203	2	↓ MOL2 SDF SMILES Flexibase

37198891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-bromo-3-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(4-bromo-3-methyl-anilino…

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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)	3.40	8.44	-8.1	1	3	0	32	345.24	2	↓ MOL2 SDF SMILES Flexibase

37198892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-bromo-3-methyl-anilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(4-bromo-3-methyl-anilino…

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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)	3.40	8.63	-7.5	1	3	0	32	345.24	2	↓ MOL2 SDF SMILES Flexibase

37199671

Analogs

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Popular Name: (4R)-4-(3,5-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3,5-dichloroanilino)-1-m…

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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)	3.50	8.28	-7.51	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37199672

Analogs

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Popular Name: (4S)-4-(3,5-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3,5-dichloroanilino)-1-m…

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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)	3.50	8.48	-7.11	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37200493

Analogs

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Popular Name: (4R)-4-(3,4-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3,4-dichloroanilino)-1-m…

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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)	3.50	8.24	-9.16	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37200494

Analogs

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Popular Name: (4S)-4-(3,4-dichloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3,4-dichloroanilino)-1-m…

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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)	3.50	8.42	-7.72	1	3	0	32	321.207	2	↓ MOL2 SDF SMILES Flexibase

37201779

Analogs

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Popular Name: (4R)-4-(3,4-difluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3,4-difluoroanilino)-1-m…

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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)	2.47	7.38	-10.95	1	3	0	32	288.297	2	↓ MOL2 SDF SMILES Flexibase

37201780

Analogs

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Popular Name: (4S)-4-(3,4-difluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3,4-difluoroanilino)-1-m…

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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)	2.47	7.57	-9.22	1	3	0	32	288.297	2	↓ MOL2 SDF SMILES Flexibase

37202388

Analogs

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Popular Name: (4R)-4-(3,4-dimethylanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3,4-dimethylanilino)-1-m…

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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)	3.04	8.48	-8.07	1	3	0	32	280.371	2	↓ MOL2 SDF SMILES Flexibase

37202389

Analogs

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Popular Name: (4S)-4-(3,4-dimethylanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3,4-dimethylanilino)-1-m…

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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)	3.04	8.68	-7.13	1	3	0	32	280.371	2	↓ MOL2 SDF SMILES Flexibase

37202570

Analogs

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Popular Name: (4R)-4-(3-chloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3-chloroanilino)-1-methy…

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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)	2.87	7.78	-8.54	1	3	0	32	286.762	2	↓ MOL2 SDF SMILES Flexibase

37202571

Analogs

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Popular Name: (4S)-4-(3-chloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3-chloroanilino)-1-methy…

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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)	2.87	7.97	-6.92	1	3	0	32	286.762	2	↓ MOL2 SDF SMILES Flexibase

37202754

Analogs

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Popular Name: (4R)-4-(3-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(3-fluoroanilino)-1-methy…

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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)	2.35	7.33	-9.29	1	3	0	32	270.307	2	↓ MOL2 SDF SMILES Flexibase

37202755

Analogs

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Popular Name: (4S)-4-(3-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(3-fluoroanilino)-1-methy…

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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)	2.35	7.52	-7.43	1	3	0	32	270.307	2	↓ MOL2 SDF SMILES Flexibase

37202933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-chloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-(4-chloroanilino)-1-methy…

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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	7.78	-8.07	1	3	0	32	286.762	2	↓ MOL2 SDF SMILES Flexibase

37202934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-chloroanilino)-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-(4-chloroanilino)-1-methy…

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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	7.97	-7.45	1	3	0	32	286.762	2	↓ MOL2 SDF SMILES Flexibase

37203097

Analogs

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Popular Name: 2-[[(4R)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]amino]benzonitrile 2-[[(4R)-1-methyl-2-oxo-3,4-dihy…

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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)	1.92	7.66	-12.69	1	4	0	56	277.327	2	↓ MOL2 SDF SMILES Flexibase

37203098

Analogs

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Popular Name: 2-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]amino]benzonitrile 2-[[(4S)-1-methyl-2-oxo-3,4-dihy…

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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)	1.92	7.86	-8.72	1	4	0	56	277.327	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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