ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.89	6.53	-17.09	1	6	0	84	468.647	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.89	6.6	-55.45	0	6	-1	86	467.639	6	↓ MOL2 SDF SMILES Flexibase

17308136

Analogs

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Popular Name: 4-ethoxy-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 4-ethoxy-N-[1-(2-thienylsulfonyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.58	6.15	-16.33	1	7	0	93	478.617	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.58	6.22	-54.65	0	7	-1	95	477.609	7	↓ MOL2 SDF SMILES Flexibase

15781340

Analogs

9708671

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Popular Name: 4-ethyl-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 4-ethyl-N-[1-(2-thienylsulfonyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.06	7.36	-16.51	1	6	0	84	462.618	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.06	7.43	-56.91	0	6	-1	86	461.61	6	↓ MOL2 SDF SMILES Flexibase

20604247

Analogs

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Popular Name: 3-fluoro-4-methoxy-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 3-fluoro-4-methoxy-N-[1-(2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.30	5.25	-21.94	1	7	0	93	482.58	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.30	5.32	-56.83	0	7	-1	95	481.572	6	↓ MOL2 SDF SMILES Flexibase

17053186

Analogs

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Popular Name: 3,4-dimethyl-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 3,4-dimethyl-N-[1-(2-thienylsulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.97	7	-21.23	1	6	0	84	462.618	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.97	7.07	-63.33	0	6	-1	86	461.61	5	↓ MOL2 SDF SMILES Flexibase

15781338

Analogs

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Popular Name: N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-thiophene-2-sulfonamide N-[1-(4-fluorophenyl)sulfonyl-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)	4.53	6.71	-15.01	1	6	0	84	466.581	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	6.8	-53.41	0	6	-1	86	465.573	5	↓ MOL2 SDF SMILES Flexibase

22563846

Analogs

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Popular Name: (1R)-1-(2-methoxy-5-methyl-phenyl)-2-(1-piperidyl)ethanamine (1R)-1-(2-methoxy-5-methyl-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)	0.80	6.62	-30.71	3	3	1	40	249.378	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.80	6.88	-126.51	4	3	2	41	250.386	4	↓ MOL2 SDF SMILES Flexibase

15781336

Analogs

31669671

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Popular Name: 4-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 4-chloro-N-[1-(4-fluorophenyl)su…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	7.44	-13.55	1	6	0	84	480.97	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.04	7.51	-47.01	0	6	-1	86	479.962	5	↓ MOL2 SDF SMILES Flexibase

15781334

Analogs

9569499

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Popular Name: 4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 4-ethyl-N-[1-(4-fluorophenyl)sul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.28	8.36	-14.21	1	6	0	84	474.579	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.28	8.44	-52.54	0	6	-1	86	473.571	6	↓ MOL2 SDF SMILES Flexibase

15781332

Analogs

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Popular Name: N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxy-3-methyl-benzenesulfonamide N-[1-(4-fluorophenyl)sulfonyl-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)	4.80	6.96	-15.1	1	7	0	93	490.578	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.80	7.04	-52.18	0	7	-1	95	489.57	6	↓ MOL2 SDF SMILES Flexibase

15781330

Analogs

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Popular Name: N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4,5-trimethyl-benzenesulfonamide N-[1-(4-fluorophenyl)sulfonyl-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)	5.57	8.82	-14.9	1	6	0	84	488.606	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.57	8.91	-53.56	0	6	-1	86	487.598	5	↓ MOL2 SDF SMILES Flexibase

1324029

Analogs

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Popular Name: 5-[1-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-4-yl]-1-phenyl-tetrazole 5-[1-(4-chlorophenyl)-5-(3-fluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.85	11.91	-8.76	0	6	0	61	416.847	4	↓ MOL2 SDF SMILES Flexibase

3881535

Analogs

3881536

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Popular Name: methyl 2,2-dimethyltetrahydro-2H-pyran-4-carboxylate methyl 2,2-dimethyltetrahydro-2H…

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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	4.24	-5.58	0	3	0	36	172.224	2	↓ MOL2 SDF SMILES Flexibase

9553991

Analogs

6681141

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Popular Name: 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-propan-1-one 1-(4-anilino-2-methyl-3,4-dihydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.87	12.9	-7.76	1	3	0	32	370.496	5	↓ MOL2 SDF SMILES Flexibase

17050682

Analogs

9569490

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Popular Name: 3-chloro-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 3-chloro-N-[1-(p-tolylsulfonyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.30	7.92	-14.48	1	6	0	84	477.007	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.30	7.99	-50.88	0	6	-1	86	475.999	5	↓ MOL2 SDF SMILES Flexibase

17050677

Analogs

35587825
9569511

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Popular Name: 2,4-difluoro-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 2,4-difluoro-N-[1-(p-tolylsulfon…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	7.63	-15.49	1	6	0	84	478.542	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.90	7.73	-51.66	0	6	-1	86	477.534	5	↓ MOL2 SDF SMILES Flexibase

17050680

Analogs

35587823

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Popular Name: 5-chloro-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide 5-chloro-N-[1-(p-tolylsulfonyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.40	7	-18.76	1	6	0	84	483.036	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.40	7.07	-54.94	0	6	-1	86	482.028	5	↓ MOL2 SDF SMILES Flexibase

21042879

Analogs

9569489

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Popular Name: 5-ethyl-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide 5-ethyl-N-[1-(p-tolylsulfonyl)-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)	5.39	8.04	-16.05	1	6	0	84	476.645	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.39	8.12	-54.36	0	6	-1	86	475.637	6	↓ MOL2 SDF SMILES Flexibase

54114358

Analogs

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Popular Name: 2-methyl-3-[(R)-(4-phenylpiperazin-1-yl)-(3-pyridyl)methyl]-1H-indole 2-methyl-3-[(R)-(4-phenylpiperaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	10.86	-7.65	1	4	0	35	382.511	4	↓ MOL2 SDF SMILES Flexibase

15781328

Analogs

9569481

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Popular Name: 4-ethoxy-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 4-ethoxy-N-[1-(p-tolylsulfonyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.08	7.76	-15.62	1	7	0	93	486.615	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.08	7.84	-54.48	0	7	-1	95	485.607	7	↓ MOL2 SDF SMILES Flexibase

22563850

Analogs

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Popular Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-(1-piperidyl)ethanamine (1S)-1-(2-methoxy-5-methyl-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)	0.80	6.59	-33.51	3	3	1	40	249.378	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.80	6.92	-126.12	4	3	2	41	250.386	4	↓ MOL2 SDF SMILES Flexibase

17050675

Analogs

35587817

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Popular Name: 3-fluoro-4-methoxy-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide 3-fluoro-4-methoxy-N-[1-(p-tolyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.80	6.78	-19.93	1	7	0	93	490.578	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.80	6.85	-57.13	0	7	-1	95	489.57	6	↓ MOL2 SDF SMILES Flexibase

15781326

Analogs

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Popular Name: N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-methyl-thiophene-2-sulfonamide N-[1-(benzenesulfonyl)-3,4-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	6.64	-16.54	1	6	0	84	448.591	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.37	6.74	-57.09	0	6	-1	86	447.583	5	↓ MOL2 SDF SMILES Flexibase

15781324

Analogs

35587815
9569472

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Popular Name: N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-ethyl-benzenesulfonamide N-[1-(benzenesulfonyl)-3,4-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.12	8.29	-15.74	1	6	0	84	456.589	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.12	8.36	-56.3	0	6	-1	86	455.581	6	↓ MOL2 SDF SMILES Flexibase

15781322

Analogs

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Popular Name: N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-dimethoxy-benzenesulfonamide N-[1-(benzenesulfonyl)-3,4-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	5.73	-19.36	1	8	0	102	488.587	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.24	5.81	-62.58	0	8	-1	104	487.579	7	↓ MOL2 SDF SMILES Flexibase

15781320

Analogs

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Popular Name: N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,4,5-trimethyl-benzenesulfonamide N-[1-(benzenesulfonyl)-3,4-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.40	8.74	-16.78	1	6	0	84	470.616	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.40	8.83	-57.62	0	6	-1	86	469.608	5	↓ MOL2 SDF SMILES Flexibase

15781318

Analogs

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Popular Name: N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-oxo-chromene-3-carboxamide N-(1-ethylsulfonyl-3,4-dihydro-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)	3.17	8.98	-31.17	1	7	0	97	412.467	4	↓ MOL2 SDF SMILES Flexibase

15781316

Analogs

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Popular Name: 2-oxo-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide 2-oxo-N-(1-propylsulfonyl-3,4-di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	9.78	-30.92	1	7	0	97	426.494	5	↓ MOL2 SDF SMILES Flexibase

20604237

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide 2-(3,4-dimethoxyphenyl)-N-[1-(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)	4.01	7.85	-22.63	1	7	0	85	472.588	7	↓ MOL2 SDF SMILES Flexibase

20604235

Analogs

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Popular Name: 2-oxo-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]chromene-3-carboxamide 2-oxo-N-[1-(2-thienylsulfonyl)-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)	4.28	10.22	-32.1	1	7	0	97	466.54	4	↓ MOL2 SDF SMILES Flexibase

20604233

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[1-(2-thien…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.80	8.85	-19.85	1	6	0	76	456.589	7	↓ MOL2 SDF SMILES Flexibase

21042867

Analogs

12033958

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide 2-(3,4-dimethoxyphenyl)-N-[1-(p-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	9.44	-22.76	1	7	0	85	480.586	7	↓ MOL2 SDF SMILES Flexibase

17050666

Analogs

9569408

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Popular Name: 2-oxo-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]chromene-3-carboxamide 2-oxo-N-[1-(p-tolylsulfonyl)-3,4…

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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)	4.78	11.85	-29.98	1	7	0	97	474.538	4	↓ MOL2 SDF SMILES Flexibase

15781313

Analogs

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Popular Name: 2-oxo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide 2-oxo-N-(1-propanoyl-3,4-dihydro…

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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)	2.95	11.07	-27.38	1	6	0	80	376.412	3	↓ MOL2 SDF SMILES Flexibase

17201122

Analogs

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Popular Name: 2-oxo-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]chromene-3-carboxamide 2-oxo-N-[1-(thiophene-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)	4.35	11.99	-26.63	1	6	0	80	430.485	3	↓ MOL2 SDF SMILES Flexibase

15781309

Analogs

15781307

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Popular Name: 4-butoxy-N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]benzamide 4-butoxy-N-[(2R)-2-(4-fluoro-3-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)	4.50	9.19	-15.98	1	6	0	86	459.539	10	↓ MOL2 SDF SMILES Flexibase

15781307

Analogs

15781309

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Popular Name: 4-butoxy-N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]benzamide 4-butoxy-N-[(2S)-2-(4-fluoro-3-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)	4.50	9.08	-15.71	1	6	0	86	459.539	10	↓ MOL2 SDF SMILES Flexibase

15781305

Analogs

15781303

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Popular Name: N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]-4-(trifluoromethyl)benzamide N-[(2R)-2-(4-fluoro-3-methyl-phe…

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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)	3.90	8.36	-14.95	1	5	0	76	455.429	7	↓ MOL2 SDF SMILES Flexibase

15781303

Analogs

15781305

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Popular Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]-4-(trifluoromethyl)benzamide N-[(2S)-2-(4-fluoro-3-methyl-phe…

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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)	3.90	8.26	-14.69	1	5	0	76	455.429	7	↓ MOL2 SDF SMILES Flexibase

15781298

Analogs

15781296

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Popular Name: N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]cyclohexanecarboxamide N-[(2R)-2-(4-fluoro-3-methyl-phe…

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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)	3.58	7.63	-15.53	1	5	0	76	393.48	6	↓ MOL2 SDF SMILES Flexibase

15781296

Analogs

15781298

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Popular Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]cyclohexanecarboxamide N-[(2S)-2-(4-fluoro-3-methyl-phe…

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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)	3.58	7.53	-15.21	1	5	0	76	393.48	6	↓ MOL2 SDF SMILES Flexibase

15781294

Analogs

15781292

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Popular Name: N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]furan-2-carboxamide N-[(2R)-2-(4-fluoro-3-methyl-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	5.36	-16.1	1	6	0	90	377.393	6	↓ MOL2 SDF SMILES Flexibase

15781292

Analogs

15781294

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Popular Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]furan-2-carboxamide N-[(2S)-2-(4-fluoro-3-methyl-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	5.26	-15.84	1	6	0	90	377.393	6	↓ MOL2 SDF SMILES Flexibase

15781290

Analogs

15781272

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Popular Name: N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]benzamide N-[(2R)-2-(4-fluoro-3-methyl-phe…

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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)	3.01	7.36	-16	1	5	0	76	387.432	6	↓ MOL2 SDF SMILES Flexibase

15781288

Analogs

15781290
15781272

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Popular Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]benzamide N-[(2S)-2-(4-fluoro-3-methyl-phe…

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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)	3.01	7.26	-15.68	1	5	0	76	387.432	6	↓ MOL2 SDF SMILES Flexibase

11025655

Analogs

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Popular Name: 4-bromo-N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]-benzamide 4-bromo-N-[2-(4-fluoro-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)	3.81	-2.5	-14.55	1	5	0	76	466.328	6	↓ MOL2 SDF SMILES Flexibase

11025654

Analogs

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Popular Name: 4-bromo-N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]-benzamide 4-bromo-N-[2-(4-fluoro-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)	3.81	-2.62	-14.23	1	5	0	76	466.328	6	↓ MOL2 SDF SMILES Flexibase

15781286

Analogs

15781284

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]furan-2-carboxamide 5-bromo-N-[(2R)-2-(4-fluoro-3-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)	3.20	6.09	-13.62	1	6	0	90	456.289	6	↓ MOL2 SDF SMILES Flexibase

15781284

Analogs

15781286

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]furan-2-carboxamide 5-bromo-N-[(2S)-2-(4-fluoro-3-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)	3.20	5.98	-13.4	1	6	0	90	456.289	6	↓ MOL2 SDF SMILES Flexibase

15781282

Analogs

15781280

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-furyl)ethyl]benzamide 3,4-diethoxy-N-[(2R)-2-(4-fluoro…

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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	8.41	-18.29	1	7	0	95	475.538	10	↓ MOL2 SDF SMILES Flexibase

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