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ZINC Item

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36968525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]sulfanylbenzoic 4-[2-oxo-2-[[(1S)-1-(2-thienyl)e…

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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	8.25	-51.31	1	4	-1	69	320.415	6	↓ MOL2 SDF SMILES Flexibase

36968527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]sulfanylbenzoic 4-[2-oxo-2-[[(1R)-1-(2-thienyl)e…

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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	8.25	-51.34	1	4	-1	69	320.415	6	↓ MOL2 SDF SMILES Flexibase

57290566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide (2R)-N-methyl-N-[(3-methyl-2-thi…

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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)	3.72	10.53	-12.97	0	5	0	66	350.465	6	↓ MOL2 SDF SMILES Flexibase

57290567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide (2S)-N-methyl-N-[(3-methyl-2-thi…

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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)	3.72	10.49	-13.34	0	5	0	66	350.465	6	↓ MOL2 SDF SMILES Flexibase

48783634

Analogs

37037383
37037563

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)sulfanyl-N-[(5-methyl-2-thienyl)methyl]acetamide 2-(4-chlorophenyl)sulfanyl-N-[(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)	3.68	8.25	-8.69	1	2	0	29	311.859	5	↓ MOL2 SDF SMILES Flexibase

48790637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromophenyl)sulfanyl-N-[(5-methyl-2-thienyl)methyl]propanamide (2R)-2-(4-bromophenyl)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)	4.17	8.81	-7.86	1	2	0	29	370.337	5	↓ MOL2 SDF SMILES Flexibase

48790639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromophenyl)sulfanyl-N-[(5-methyl-2-thienyl)methyl]propanamide (2S)-2-(4-bromophenyl)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)	4.17	8.81	-7.86	1	2	0	29	370.337	5	↓ MOL2 SDF SMILES Flexibase

48793831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromophenyl)sulfanyl-N-[(4-bromo-2-thienyl)methyl]propanamide (2S)-2-(4-bromophenyl)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)	4.68	8.59	-7.67	1	2	0	29	435.206	5	↓ MOL2 SDF SMILES Flexibase

48793833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromophenyl)sulfanyl-N-[(4-bromo-2-thienyl)methyl]propanamide (2R)-2-(4-bromophenyl)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)	4.68	8.59	-7.72	1	2	0	29	435.206	5	↓ MOL2 SDF SMILES Flexibase

48793849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(4-bromo-2-thienyl)methyl]-2-(2-chlorophenyl)sulfanyl-propanamide (2S)-N-[(4-bromo-2-thienyl)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)	4.51	8.42	-9.7	1	2	0	29	390.755	5	↓ MOL2 SDF SMILES Flexibase

48793851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4-bromo-2-thienyl)methyl]-2-(2-chlorophenyl)sulfanyl-propanamide (2R)-N-[(4-bromo-2-thienyl)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)	4.51	8.41	-9.64	1	2	0	29	390.755	5	↓ MOL2 SDF SMILES Flexibase

48945080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(4-fluorophenyl)sulfanyl-N-[(1…

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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)	3.72	8.61	-8.53	1	2	0	29	309.431	5	↓ MOL2 SDF SMILES Flexibase

48945081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(4-fluorophenyl)sulfanyl-N-[(1…

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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)	3.72	8.61	-8.54	1	2	0	29	309.431	5	↓ MOL2 SDF SMILES Flexibase

48945140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(2-fluorophenyl)sulfanyl-N-[(1…

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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	8.59	-11.62	1	2	0	29	309.431	5	↓ MOL2 SDF SMILES Flexibase

48945141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)sulfanyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(2-fluorophenyl)sulfanyl-N-[(1…

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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	8.59	-11.58	1	2	0	29	309.431	5	↓ MOL2 SDF SMILES Flexibase

48945214

Analogs

37037565
37037566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(4-chlorophenyl)sulfanyl-N-[(1…

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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)	4.23	9.06	-8.03	1	2	0	29	325.886	5	↓ MOL2 SDF SMILES Flexibase

48945215

Analogs

37037565
37037566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(4-chlorophenyl)sulfanyl-N-[(1…

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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)	4.23	9.06	-8.01	1	2	0	29	325.886	5	↓ MOL2 SDF SMILES Flexibase

48974157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-2-(o-tolylsulfanyl)acetamide N-[(1S)-1-(5-methyl-2-thienyl)et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	9.12	-8.34	1	2	0	29	305.468	5	↓ MOL2 SDF SMILES Flexibase

48974159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-2-(o-tolylsulfanyl)acetamide N-[(1R)-1-(5-methyl-2-thienyl)et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	9.11	-8.33	1	2	0	29	305.468	5	↓ MOL2 SDF SMILES Flexibase

48974179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)sulfanyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(2-chlorophenyl)sulfanyl-N-[(1…

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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)	4.19	9	-10.23	1	2	0	29	325.886	5	↓ MOL2 SDF SMILES Flexibase

48974181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)sulfanyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(2-chlorophenyl)sulfanyl-N-[(1…

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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)	4.19	9	-10.22	1	2	0	29	325.886	5	↓ MOL2 SDF SMILES Flexibase

37181320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]acetamide 2-(4-aminophenyl)sulfanyl-N-[(1S…

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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)	3.16	6.69	-8.4	3	3	0	55	320.483	6	↓ MOL2 SDF SMILES Flexibase

37181323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]acetamide 2-(4-aminophenyl)sulfanyl-N-[(1R…

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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)	3.16	6.69	-8.41	3	3	0	55	320.483	6	↓ MOL2 SDF SMILES Flexibase

37181410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-(4-aminophenyl)sulfanyl-N-(2-thienylmethyl)acetamide N-allyl-2-(4-aminophenyl)sulfany…

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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)	2.74	8.44	-10.22	2	3	0	46	318.467	7	↓ MOL2 SDF SMILES Flexibase

37181508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-acetamide 2-(4-aminophenyl)sulfanyl-N-[(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)	3.41	8.57	-9.6	2	3	0	46	385.352	6	↓ MOL2 SDF SMILES Flexibase

37182003

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-methyl-N-(2-thienylmethyl)acetamide 2-(4-aminophenyl)sulfanyl-N-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)	2.10	6.93	-11.18	2	3	0	46	292.429	5	↓ MOL2 SDF SMILES Flexibase

37182071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-(4-aminophenyl)sulfanyl-N-[(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)	2.90	7.55	-10.3	2	3	0	46	326.874	5	↓ MOL2 SDF SMILES Flexibase

37182227

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(4-aminophenyl)sulfanyl-N-[(1S…

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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)	2.41	5.59	-9.21	3	3	0	55	292.429	5	↓ MOL2 SDF SMILES Flexibase

37182229

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(4-aminophenyl)sulfanyl-N-[(1R…

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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)	2.41	5.59	-9.22	3	3	0	55	292.429	5	↓ MOL2 SDF SMILES Flexibase

37192941

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-methyl-N-(2-thienylmethyl)acetamide 2-(2-amino-4-methyl-phenyl)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)	2.88	7.67	-11.71	2	3	0	46	306.456	5	↓ MOL2 SDF SMILES Flexibase

37192979

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-(2-amino-4-methyl-phenyl)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)	3.68	8.3	-11.89	2	3	0	46	340.901	5	↓ MOL2 SDF SMILES Flexibase

37193080

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-(2-thienylmethyl)acetamide 2-(2-amino-4-methyl-phenyl)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)	2.64	5.52	-8.97	3	3	0	55	292.429	5	↓ MOL2 SDF SMILES Flexibase

37193082

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(2-amino-4-methyl-phenyl)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)	3.19	6.33	-8.45	3	3	0	55	306.456	5	↓ MOL2 SDF SMILES Flexibase

37193083

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(2-amino-4-methyl-phenyl)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)	3.19	6.33	-8.47	3	3	0	55	306.456	5	↓ MOL2 SDF SMILES Flexibase

37193595

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-methyl-N-(2-thienylmethyl)acetamide 2-(4-amino-2-methyl-phenyl)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)	2.47	7.5	-12.35	2	3	0	46	306.456	5	↓ MOL2 SDF SMILES Flexibase

37193633

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-(4-amino-2-methyl-phenyl)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)	3.27	8.12	-12.48	2	3	0	46	340.901	5	↓ MOL2 SDF SMILES Flexibase

37193734

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-(2-thienylmethyl)acetamide 2-(4-amino-2-methyl-phenyl)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)	2.23	5.34	-9.56	3	3	0	55	292.429	5	↓ MOL2 SDF SMILES Flexibase

37193736

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(4-amino-2-methyl-phenyl)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)	2.79	6.16	-8.96	3	3	0	55	306.456	5	↓ MOL2 SDF SMILES Flexibase

37193737

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(4-amino-2-methyl-phenyl)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)	2.79	6.16	-8.93	3	3	0	55	306.456	5	↓ MOL2 SDF SMILES Flexibase

37194229

Analogs

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Popular Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-N-methyl-N-(2-thienylmethyl)acetamide 2-(4-amino-2-fluoro-phenyl)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)	2.19	6.97	-14.27	2	3	0	46	310.419	5	↓ MOL2 SDF SMILES Flexibase

37194267

Analogs

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Popular Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-(4-amino-2-fluoro-phenyl)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)	2.99	7.6	-13.36	2	3	0	46	344.864	5	↓ MOL2 SDF SMILES Flexibase

37194368

Analogs

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Popular Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-N-(2-thienylmethyl)acetamide 2-(4-amino-2-fluoro-phenyl)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)	1.94	4.82	-12.68	3	3	0	55	296.392	5	↓ MOL2 SDF SMILES Flexibase

37194370

Analogs

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Popular Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(4-amino-2-fluoro-phenyl)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)	2.50	5.63	-12.15	3	3	0	55	310.419	5	↓ MOL2 SDF SMILES Flexibase

37194371

Analogs

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Popular Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(4-amino-2-fluoro-phenyl)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)	2.50	5.63	-12.13	3	3	0	55	310.419	5	↓ MOL2 SDF SMILES Flexibase

49251160

Analogs

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Popular Name: (2R)-2-phenylsulfanyl-N-[(1S)-1-(2-thienyl)propyl]propanamide (2R)-2-phenylsulfanyl-N-[(1S)-1-…

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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	8.79	-7.61	1	2	0	29	305.468	6	↓ MOL2 SDF SMILES Flexibase

49251163

Analogs

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Popular Name: (2R)-2-phenylsulfanyl-N-[(1R)-1-(2-thienyl)propyl]propanamide (2R)-2-phenylsulfanyl-N-[(1R)-1-…

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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	8.68	-7.54	1	2	0	29	305.468	6	↓ MOL2 SDF SMILES Flexibase

49251165

Analogs

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Popular Name: (2S)-2-phenylsulfanyl-N-[(1S)-1-(2-thienyl)propyl]propanamide (2S)-2-phenylsulfanyl-N-[(1S)-1-…

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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	8.65	-7.53	1	2	0	29	305.468	6	↓ MOL2 SDF SMILES Flexibase

49251168

Analogs

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Popular Name: (2S)-2-phenylsulfanyl-N-[(1R)-1-(2-thienyl)propyl]propanamide (2S)-2-phenylsulfanyl-N-[(1R)-1-…

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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	8.78	-7.57	1	2	0	29	305.468	6	↓ MOL2 SDF SMILES Flexibase

37194873

Analogs

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Popular Name: 2-(2-amino-4-fluoro-phenyl)sulfanyl-N-methyl-N-(2-thienylmethyl)acetamide 2-(2-amino-4-fluoro-phenyl)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)	2.60	7.07	-10.33	2	3	0	46	310.419	5	↓ MOL2 SDF SMILES Flexibase

37194911

Analogs

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Popular Name: 2-(2-amino-4-fluoro-phenyl)sulfanyl-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-(2-amino-4-fluoro-phenyl)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)	3.40	7.7	-9.66	2	3	0	46	344.864	5	↓ MOL2 SDF SMILES Flexibase

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