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ZINC Item

Suppliers, Protomers, & Similar Substances

749844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-N,N-diethyl-5-[[2-(phenylthio)acetyl]amino]benzamide 2-(dimethylamino)-N,N-diethyl-5-…

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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	-0.8	-15.2	1	5	0	52	385.533	8	↓ MOL2 SDF SMILES Flexibase

6728523

Analogs

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Popular Name: N-(2-acetylamino-5-methoxy-phenyl)-2-(p-tolylsulfanyl)acetamide N-(2-acetylamino-5-methoxy-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)	2.83	-0.78	-17.87	2	5	0	67	344.436	6	↓ MOL2 SDF SMILES Flexibase

8981061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]-acetamide 2-[4-chloro-3-(trifluoromethyl)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)	3.97	-2.4	-18.44	1	5	0	66	452.907	7	↓ MOL2 SDF SMILES Flexibase

10511034

Analogs

16553297
6313204

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-2-phenylsulfanyl-acetamide N-(4-methylsulfanylphenyl)-2-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)	3.61	-0.71	-11.18	1	2	0	29	289.425	5	↓ MOL2 SDF SMILES Flexibase

10511037

Analogs

4414802

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)sulfanyl-N-(4-methylsulfanylphenyl)-acetamide 2-(4-fluorophenyl)sulfanyl-N-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	0.03	-12.25	1	2	0	29	307.415	5	↓ MOL2 SDF SMILES Flexibase

10511050

Analogs

3183768

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)sulfanyl-N-(4-methylsulfanylphenyl)-acetamide 2-(4-chlorophenyl)sulfanyl-N-(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)	4.29	-0.86	-11.71	1	2	0	29	323.87	5	↓ MOL2 SDF SMILES Flexibase

10511503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonylphenyl)-acetamide 2-(4-fluorophenyl)sulfanyl-N-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	-3.23	-19.92	1	4	0	63	339.413	5	↓ MOL2 SDF SMILES Flexibase

10511515

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-2-(p-tolylsulfanyl)acetamide N-(4-methylsulfonylphenyl)-2-(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)	2.49	-3.65	-19.62	1	4	0	63	335.45	5	↓ MOL2 SDF SMILES Flexibase

10511648

Analogs

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Popular Name: 2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)-acetamide 2-(4-methoxyphenyl)sulfanyl-N-(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	-3.96	-20.93	1	5	0	72	351.449	6	↓ MOL2 SDF SMILES Flexibase

10512323

Analogs

37855509

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Popular Name: N-(2-methylsulfonylphenyl)-2-phenylsulfanyl-acetamide N-(2-methylsulfonylphenyl)-2-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)	2.44	-3.15	-14.28	1	4	0	63	321.423	5	↓ MOL2 SDF SMILES Flexibase

10512325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)-acetamide 2-(4-fluorophenyl)sulfanyl-N-(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)	2.60	-2.41	-14.67	1	4	0	63	339.413	5	↓ MOL2 SDF SMILES Flexibase

10512338

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-2-(p-tolylsulfanyl)acetamide N-(2-methylsulfonylphenyl)-2-(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)	2.88	-2.83	-14.18	1	4	0	63	335.45	5	↓ MOL2 SDF SMILES Flexibase

29144938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(methoxymethyl)phenyl]propanamide (2R)-2-(4-chlorophenyl)sulfanyl-…

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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)	4.15	8.59	-11.05	1	3	0	38	335.856	6	↓ MOL2 SDF SMILES Flexibase

29144942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[3-(methoxymethyl)phenyl]propanamide (2S)-2-(4-chlorophenyl)sulfanyl-…

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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)	4.15	8.56	-11.11	1	3	0	38	335.856	6	↓ MOL2 SDF SMILES Flexibase

51482626

Analogs

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Popular Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide (2S)-2-(4-acetamidophenyl)sulfan…

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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)	2.07	4.3	-20.42	3	5	0	78	344.436	6	↓ MOL2 SDF SMILES Flexibase

51482629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-acetamidophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide (2R)-2-(4-acetamidophenyl)sulfan…

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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)	2.07	4.32	-18.5	3	5	0	78	344.436	6	↓ MOL2 SDF SMILES Flexibase

17982490

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-2-(3,4-difluorophenyl)sulfanyl-acetamide N-(2,3-dichlorophenyl)-2-(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)	4.69	8.88	-10.68	1	2	0	29	348.201	4	↓ MOL2 SDF SMILES Flexibase

17982492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide 2-(3,4-difluorophenyl)sulfanyl-N…

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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)	3.48	8.48	-21.04	1	5	0	75	342.298	5	↓ MOL2 SDF SMILES Flexibase

17982586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)propanamide (2R)-2-(3,4-difluorophenyl)sulfa…

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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)	3.83	6.95	-12.81	1	4	0	48	353.39	6	↓ MOL2 SDF SMILES Flexibase

17982588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)propanamide (2S)-2-(3,4-difluorophenyl)sulfa…

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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)	3.83	6.93	-12.59	1	4	0	48	353.39	6	↓ MOL2 SDF SMILES Flexibase

53323354

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-phenylsulfanyl-acetamide N-(2-cyanoethyl)-N-(2,3-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)	3.68	12.55	-14.45	0	3	0	44	324.449	6	↓ MOL2 SDF SMILES Flexibase

18951487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-2-(3,4-dimethylphenyl)sulfanyl-acetamide N-[3-(diethylsulfamoyl)-4-ethoxy…

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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)	4.43	9.46	-23.92	1	6	0	76	450.626	10	↓ MOL2 SDF SMILES Flexibase

19993385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-(2-chlorophenyl)sulfanyl-acetamide N-(2-amino-4,6-dichloro-phenyl)-…

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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	7.51	-15.67	3	3	0	55	361.681	4	↓ MOL2 SDF SMILES Flexibase

19994915

Analogs

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2-(2-chlorophenyl)sulfanyl-acetamide N-(2-amino-4-fluoro-phenyl)-2-(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)	3.38	6.37	-17.87	3	3	0	55	310.781	4	↓ MOL2 SDF SMILES Flexibase

19997326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-chloro-phenyl)-2-(p-tolylsulfanyl)propanamide (2R)-N-(4-amino-2-chloro-phenyl)…

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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)	3.67	7.22	-10.6	3	3	0	55	320.845	4	↓ MOL2 SDF SMILES Flexibase

19997329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(p-tolylsulfanyl)propanamide (2S)-N-(4-amino-2-chloro-phenyl)…

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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)	3.67	7.53	-10.44	3	3	0	55	320.845	4	↓ MOL2 SDF SMILES Flexibase

19997695

Analogs

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2-(3,4-dimethylphenyl)sulfanyl-acetamide N-(2-amino-4-fluoro-phenyl)-2-(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)	3.58	7.23	-15.95	3	3	0	55	304.39	4	↓ MOL2 SDF SMILES Flexibase

19998386

Analogs

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Popular Name: N-(2-amino-4-chloro-phenyl)-2-(4-fluorophenyl)sulfanyl-acetamide N-(2-amino-4-chloro-phenyl)-2-(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	6.42	-15.47	3	3	0	55	310.781	4	↓ MOL2 SDF SMILES Flexibase

19998808

Analogs

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Popular Name: (2R)-N-(4-amino-2-chloro-phenyl)-2-(4-fluorophenyl)sulfanyl-propanamide (2R)-N-(4-amino-2-chloro-phenyl)…

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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	6.89	-9.7	3	3	0	55	324.808	4	↓ MOL2 SDF SMILES Flexibase

19998810

Analogs

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Popular Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(4-fluorophenyl)sulfanyl-propanamide (2S)-N-(4-amino-2-chloro-phenyl)…

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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	6.94	-10.08	3	3	0	55	324.808	4	↓ MOL2 SDF SMILES Flexibase

19999098

Analogs

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2-(4-chlorophenyl)sulfanyl-acetamide N-(2-amino-4-fluoro-phenyl)-2-(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	6.42	-15.6	3	3	0	55	310.781	4	↓ MOL2 SDF SMILES Flexibase

19999141

Analogs

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Popular Name: N-(2-amino-4-chloro-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-acetamide N-(2-amino-4-chloro-phenyl)-2-(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)	4.09	7.57	-14.56	3	3	0	55	320.845	4	↓ MOL2 SDF SMILES Flexibase

19999267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-methyl-phenyl)-2-(2-fluorophenyl)sulfanyl-propanamide (2R)-N-(4-amino-2-methyl-phenyl)…

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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	6.77	-16.13	3	3	0	55	304.39	4	↓ MOL2 SDF SMILES Flexibase

19999269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-(2-fluorophenyl)sulfanyl-propanamide (2S)-N-(4-amino-2-methyl-phenyl)…

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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	6.8	-17.44	3	3	0	55	304.39	4	↓ MOL2 SDF SMILES Flexibase

19999417

Analogs

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Popular Name: N-(2-amino-5-chloro-phenyl)-2-(4-chlorophenyl)sulfanyl-acetamide N-(2-amino-5-chloro-phenyl)-2-(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	6.87	-16.4	3	3	0	55	327.236	4	↓ MOL2 SDF SMILES Flexibase

20000836

Analogs

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Popular Name: (2R)-N-(5-amino-2-methyl-phenyl)-2-(4-fluorophenyl)sulfanyl-propanamide (2R)-N-(5-amino-2-methyl-phenyl)…

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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)	3.15	7.05	-11.63	3	3	0	55	304.39	4	↓ MOL2 SDF SMILES Flexibase

20000840

Analogs

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Popular Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-(4-fluorophenyl)sulfanyl-propanamide (2S)-N-(5-amino-2-methyl-phenyl)…

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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)	3.15	7.07	-11.91	3	3	0	55	304.39	4	↓ MOL2 SDF SMILES Flexibase

20003961

Analogs

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Popular Name: (2R)-N-(3-amino-4-chloro-phenyl)-2-phenylsulfanyl-propanamide (2R)-N-(3-amino-4-chloro-phenyl)…

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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)	3.63	6.79	-11.54	3	3	0	55	306.818	4	↓ MOL2 SDF SMILES Flexibase

20003964

Analogs

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Popular Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-phenylsulfanyl-propanamide (2S)-N-(3-amino-4-chloro-phenyl)…

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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)	3.63	6.78	-11.67	3	3	0	55	306.818	4	↓ MOL2 SDF SMILES Flexibase

20004189

Analogs

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Popular Name: N-(3-amino-4-chloro-phenyl)-2-(2-chlorophenyl)sulfanyl-acetamide N-(3-amino-4-chloro-phenyl)-2-(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)	3.89	6.55	-14.78	3	3	0	55	327.236	4	↓ MOL2 SDF SMILES Flexibase

20238479

Analogs

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Popular Name: (2R)-2-phenylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (2R)-2-phenylsulfanyl-N-[2-(trif…

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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)	4.38	9.42	-7.86	1	2	0	29	325.355	5	↓ MOL2 SDF SMILES Flexibase

20238482

Analogs

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Popular Name: (2S)-2-phenylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (2S)-2-phenylsulfanyl-N-[2-(trif…

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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)	4.38	9.38	-7.89	1	2	0	29	325.355	5	↓ MOL2 SDF SMILES Flexibase

20241930

Analogs

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Popular Name: N-(4-isopropoxyphenyl)-2-(p-tolylsulfanyl)acetamide N-(4-isopropoxyphenyl)-2-(p-toly…

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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)	4.42	9.16	-13.39	1	3	0	38	315.438	6	↓ MOL2 SDF SMILES Flexibase

36148009

Analogs

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Popular Name: 2-(4-acetyl-2-fluoro-phenyl)sulfanyl-N-(4-cyanophenyl)acetamide 2-(4-acetyl-2-fluoro-phenyl)sulf…

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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	8.53	-23.88	1	4	0	70	328.368	5	↓ MOL2 SDF SMILES Flexibase

20362510

Analogs

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Popular Name: 4-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]sulfanylbenzoic 4-[(1R)-2-anilino-1-methyl-2-oxo…

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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)	3.45	7.95	-53.54	1	4	-1	69	300.359	5	↓ MOL2 SDF SMILES Flexibase

20362511

Analogs

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Popular Name: 4-[(1S)-2-anilino-1-methyl-2-oxo-ethyl]sulfanylbenzoic 4-[(1S)-2-anilino-1-methyl-2-oxo…

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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)	3.45	7.92	-53.85	1	4	-1	69	300.359	5	↓ MOL2 SDF SMILES Flexibase

53526438

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)sulfanyl-acetamide N-(2-cyanoethyl)-N-(2,3-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)	3.73	11.84	-15.47	0	4	0	53	354.475	7	↓ MOL2 SDF SMILES Flexibase

20893061

Analogs

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Popular Name: 2-(2,5-dichlorophenyl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide 2-(2,5-dichlorophenyl)sulfanyl-N…

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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)	5.24	10.56	-10.88	1	5	0	75	425.215	6	↓ MOL2 SDF SMILES Flexibase

12038902

Analogs

12038903
21693813
21693817
7399979
7399982

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide N-(4-methylsulfanylphenyl)-2-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	0.12	-12.45	1	5	0	75	348.449	6	↓ MOL2 SDF SMILES Flexibase

12038903

Analogs

21693813
21693817
12038902
7399979
7399982

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide N-(4-methylsulfanylphenyl)-2-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	-0.03	-13.93	1	5	0	75	348.449	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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