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ZINC Item

Suppliers, Protomers, & Similar Substances

7150055

Analogs

7150153

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2,6-diethylphenyl)-2-[(2,5-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)	4.86	12.84	-10.92	1	2	0	29	341.52	7	↓ MOL2 SDF SMILES Flexibase

7150058

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2-chloro-4-methyl-phenyl)-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)	5.12	11.06	-9.34	1	2	0	29	333.884	5	↓ MOL2 SDF SMILES Flexibase

7150060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-phenyl-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.06	0.51	-11.67	1	2	0	29	285.412	5	↓ MOL2 SDF SMILES Flexibase

7150064

Analogs

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Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(4-fluorophenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.22	1.24	-11.99	1	2	0	29	303.402	5	↓ MOL2 SDF SMILES Flexibase

7150071

Analogs

7150095

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[(2,5-d…

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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)	4.89	11.31	-11.7	1	2	0	29	313.466	5	↓ MOL2 SDF SMILES Flexibase

7150092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-isopropyl-6-methyl-phenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.52	12.63	-10.44	1	2	0	29	341.52	6	↓ MOL2 SDF SMILES Flexibase

7150095

Analogs

7150071

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.33	12.04	-11.05	1	2	0	29	327.493	5	↓ MOL2 SDF SMILES Flexibase

7150103

Analogs

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Popular Name: methyl 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)	4.37	10.72	-10.37	1	4	0	55	343.448	7	↓ MOL2 SDF SMILES Flexibase

7150119

Analogs

4496937

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.91	11.01	-9.06	1	2	0	29	353.409	6	↓ MOL2 SDF SMILES Flexibase

7150123

Analogs

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Popular Name: N-(4-acetylaminophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(4-acetylaminophenyl)-2-[(2,5-…

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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)	3.28	-0.6	-21.16	2	4	0	58	342.464	6	↓ MOL2 SDF SMILES Flexibase

7150125

Analogs

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Popular Name: N-(2-bromophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2-bromophenyl)-2-[(2,5-dimeth…

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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)	4.82	0.02	-9.37	1	2	0	29	364.308	5	↓ MOL2 SDF SMILES Flexibase

7150134

Analogs

1040913

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.47	10.78	-14.67	1	2	0	29	331.506	6	↓ MOL2 SDF SMILES Flexibase

7150138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-fluorophenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.20	9.83	-14.38	1	2	0	29	303.402	5	↓ MOL2 SDF SMILES Flexibase

7150139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylaminophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(3-acetylaminophenyl)-2-[(2,5-…

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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)	3.26	-0.57	-17.93	2	4	0	58	342.464	6	↓ MOL2 SDF SMILES Flexibase

7150141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2,5-difluorophenyl)-2-[(2,5-d…

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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)	4.32	9.93	-10.97	1	2	0	29	321.392	5	↓ MOL2 SDF SMILES Flexibase

7150148

Analogs

6329088

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-[4-(difluoromethoxy)phenyl]-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)	4.67	9.33	-15.56	1	3	0	38	351.418	7	↓ MOL2 SDF SMILES Flexibase

7150150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2-acetylphenyl)-2-[(2,5-dimet…

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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)	3.91	10.64	-12.38	1	3	0	46	327.449	6	↓ MOL2 SDF SMILES Flexibase

7150153

Analogs

7150055

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-ethyl-6-methyl-phenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.39	1.7	-11.25	1	2	0	29	327.493	6	↓ MOL2 SDF SMILES Flexibase

7150157

Analogs

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Popular Name: methyl 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)	4.61	11.24	-19.04	1	4	0	55	357.475	7	↓ MOL2 SDF SMILES Flexibase

7150162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	3.36	-3.33	-19.79	1	6	0	75	422.572	8	↓ MOL2 SDF SMILES Flexibase

7150167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-ethylphenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.93	11.42	-11.08	1	2	0	29	313.466	6	↓ MOL2 SDF SMILES Flexibase

7150169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]acetyl]amino-N,N-dimethyl-benzamide 4-[2-[(2,5-dimethylphenyl)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)	3.03	0.31	-16.35	1	4	0	49	356.491	6	↓ MOL2 SDF SMILES Flexibase

7150170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]acetyl]amino-N,N-diethyl-benzamide 4-[2-[(2,5-dimethylphenyl)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)	3.78	11.52	-16.07	1	4	0	49	384.545	8	↓ MOL2 SDF SMILES Flexibase

7150171

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(5-chloro-2-fluoro-phenyl)-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)	4.83	10.38	-10.2	1	2	0	29	337.847	5	↓ MOL2 SDF SMILES Flexibase

7150175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2,3-dimethylphenyl)-2-[(2,5-d…

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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)	4.86	11.17	-11.75	1	2	0	29	313.466	5	↓ MOL2 SDF SMILES Flexibase

7150179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-methoxyphenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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	9.06	-15.03	1	3	0	38	315.438	6	↓ MOL2 SDF SMILES Flexibase

7150185

Analogs

6395371

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxy-5-methyl-phenyl)-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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	9.85	-11.35	1	3	0	38	329.465	6	↓ MOL2 SDF SMILES Flexibase

7150188

Analogs

7150193

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2,6-dimethylphenyl)-2-[(2,5-d…

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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	1.39	-10.91	1	2	0	29	313.466	5	↓ MOL2 SDF SMILES Flexibase

7150189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2,5-dimethoxyphenyl)-2-[(2,5-…

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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)	4.10	8.45	-14.07	1	4	0	48	345.464	7	↓ MOL2 SDF SMILES Flexibase

7150191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2-chlorophenyl)-2-[(2,5-dimet…

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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	10.39	-9.46	1	2	0	29	319.857	5	↓ MOL2 SDF SMILES Flexibase

7150193

Analogs

7150188

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Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(o-tolyl)acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	4.46	1.09	-11.66	1	2	0	29	299.439	5	↓ MOL2 SDF SMILES Flexibase

7150195

Analogs

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Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(p-tolyl)acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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	10.42	-11.71	1	2	0	29	299.439	5	↓ MOL2 SDF SMILES Flexibase

7150197

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(3,4-difluorophenyl)-2-[(2,5-d…

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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)	4.32	2.03	-15.5	1	2	0	29	321.392	5	↓ MOL2 SDF SMILES Flexibase

7150199

Analogs

7146574

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(2-chloro-4-fluoro-phenyl)-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)	4.83	10.46	-8.67	1	2	0	29	337.847	5	↓ MOL2 SDF SMILES Flexibase

7150205

Analogs

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Popular Name: N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide N-(3-cyanophenyl)-2-[(2,5-dimeth…

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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)	3.79	10.15	-16.72	1	3	0	53	310.422	5	↓ MOL2 SDF SMILES Flexibase

7150207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]-acetamide 2-[(2,5-dimethylphenyl)methylsul…

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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)	3.35	-3.57	-16.99	1	5	0	66	392.546	7	↓ MOL2 SDF SMILES Flexibase

7150682

Analogs

25442910

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Popular Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methylsulfanyl]acetamide N-[3-(dimethylsulfamoyl)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)	2.53	5.87	-16.74	1	6	0	76	394.518	8	↓ MOL2 SDF SMILES Flexibase

7150687

Analogs

6304629

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Popular Name: N-(3-ethylphenyl)-2-(o-tolylmethylsulfanyl)acetamide N-(3-ethylphenyl)-2-(o-tolylmeth…

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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	10.52	-11.28	1	2	0	29	299.439	6	↓ MOL2 SDF SMILES Flexibase

7150727

Analogs

7150728

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Popular Name: 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]-acetamide 2-[1-(2-chlorophenyl)ethylsulfan…

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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)	3.52	-3.79	-15.07	1	5	0	66	412.964	7	↓ MOL2 SDF SMILES Flexibase

7150728

Analogs

7150727

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Popular Name: 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]-acetamide 2-[1-(2-chlorophenyl)ethylsulfan…

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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)	3.52	-3.8	-15.26	1	5	0	66	412.964	7	↓ MOL2 SDF SMILES Flexibase

7150729

Analogs

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Popular Name: N-(2,6-diethylphenyl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide N-(2,6-diethylphenyl)-2-[(2-etho…

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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	1.36	-11.73	1	3	0	38	357.519	9	↓ MOL2 SDF SMILES Flexibase

7150730

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide N-(2-chloro-4-methyl-phenyl)-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)	4.67	10.15	-10.3	1	3	0	38	349.883	7	↓ MOL2 SDF SMILES Flexibase

7150731

Analogs

7150772
7150856

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Popular Name: 2-[(2-ethoxyphenyl)methylsulfanyl]-N-phenyl-acetamide 2-[(2-ethoxyphenyl)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)	3.62	0.04	-12.53	1	3	0	38	301.411	7	↓ MOL2 SDF SMILES Flexibase

7150740

Analogs

7150764

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Popular Name: N-(2,4-dimethylphenyl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[(2-eth…

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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)	4.45	10.37	-12.52	1	3	0	38	329.465	7	↓ MOL2 SDF SMILES Flexibase

7150744

Analogs

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Popular Name: methyl 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)	3.79	9.51	-16.54	1	5	0	65	359.447	9	↓ MOL2 SDF SMILES Flexibase

7150748

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide N-(2,3-dichlorophenyl)-2-[(2-eth…

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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)	4.88	9.95	-9.86	1	3	0	38	370.301	7	↓ MOL2 SDF SMILES Flexibase

7150752

Analogs

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Popular Name: 2-[(2-ethoxyphenyl)methylsulfanyl]-N-(2-isopropyl-6-methyl-phenyl)-acetamide 2-[(2-ethoxyphenyl)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)	4.08	11.72	-11.39	1	3	0	38	357.519	8	↓ MOL2 SDF SMILES Flexibase

7150764

Analogs

7150740

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Popular Name: 2-[(2-ethoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide 2-[(2-ethoxyphenyl)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)	3.89	11.13	-11.98	1	3	0	38	343.492	7	↓ MOL2 SDF SMILES Flexibase

7150769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichlorophenyl)-2-[(2-ethoxyphenyl)methylsulfanyl]acetamide N-(2,6-dichlorophenyl)-2-[(2-eth…

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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)	4.88	0.16	-12.33	1	3	0	38	370.301	7	↓ MOL2 SDF SMILES Flexibase

7150776

Analogs

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Popular Name: 2-[(2-ethoxyphenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]-acetamide 2-[(2-ethoxyphenyl)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)	4.47	2.47	-10.09	1	3	0	38	369.408	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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