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ZINC Item

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52879046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(3S)-1,1-dioxothiolane-…

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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)	0.60	4.11	-63.55	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

52879048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(3S)-1,1-dioxothiolane-…

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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)	0.60	4.11	-62.05	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

52879050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(3R)-1,1-dioxothiolane-…

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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)	0.60	4.1	-64.58	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

52879051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(3R)-1,1-dioxothiolane-…

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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)	0.60	4.1	-64.36	1	6	-1	103	310.351	4	↓ MOL2 SDF SMILES Flexibase

52898701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[4-(2-aminoethyl)phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[[4-(2-aminoethyl)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)	-0.30	1.04	-62.55	4	5	1	91	297.4	5	↓ MOL2 SDF SMILES Flexibase

52898704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[4-(2-aminoethyl)phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[[4-(2-aminoethyl)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)	-0.30	1.04	-63.7	4	5	1	91	297.4	5	↓ MOL2 SDF SMILES Flexibase

53413101

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)	0.61	4.97	-24.86	1	6	0	90	404.282	6	↓ MOL2 SDF SMILES Flexibase

53413102

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)	0.61	4.96	-23.08	1	6	0	90	404.282	6	↓ MOL2 SDF SMILES Flexibase

53413103

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)	0.61	4.97	-24.8	1	6	0	90	404.282	6	↓ MOL2 SDF SMILES Flexibase

53413104

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)	0.61	4.96	-25.74	1	6	0	90	404.282	6	↓ MOL2 SDF SMILES Flexibase

36978014

Analogs

48412947
48412949
7751273
7751278
7751261

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-acetic (2S)-2-[[(3S)-1,1-dioxothiolane-…

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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)	0.15	3.2	-60.09	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36978016

Analogs

48412947
48412949
7751273
7751278
7751261

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-acetic (2R)-2-[[(3S)-1,1-dioxothiolane-…

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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)	0.15	3.13	-62.07	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36978018

Analogs

48412947
48412949
7751273
7751278
7751261

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-acetic (2S)-2-[[(3R)-1,1-dioxothiolane-…

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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)	0.15	3.22	-62.4	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

36978020

Analogs

48412947
48412949
7751273
7751278
7751261

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-2-phenyl-acetic (2R)-2-[[(3R)-1,1-dioxothiolane-…

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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)	0.15	3.14	-62.81	1	6	-1	103	296.324	4	↓ MOL2 SDF SMILES Flexibase

63000482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1S)-2-hydroxy-1-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)	0.27	-0.11	-17.08	2	5	0	83	283.349	4	↓ MOL2 SDF SMILES Flexibase

63000483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1R)-2-hydroxy-1-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)	0.27	-0.11	-16.97	2	5	0	83	283.349	4	↓ MOL2 SDF SMILES Flexibase

63000484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(1S)-2-hydroxy-1-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)	0.27	-0.11	-18.01	2	5	0	83	283.349	4	↓ MOL2 SDF SMILES Flexibase

63000485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(1R)-2-hydroxy-1-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)	0.27	-0.11	-18.04	2	5	0	83	283.349	4	↓ MOL2 SDF SMILES Flexibase

66841492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[4-(diethylamino)-3-fluoro-phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[[4-(diethylamino)-3-fluo…

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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)	1.67	4.93	-18.17	1	5	0	66	342.436	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.67	4.71	-51.62	2	5	1	68	343.444	6	↓ MOL2 SDF SMILES Flexibase

66841493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[4-(diethylamino)-3-fluoro-phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[[4-(diethylamino)-3-fluo…

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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)	1.67	4.94	-18.92	1	5	0	66	342.436	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.67	4.72	-52.33	2	5	1	68	343.444	6	↓ MOL2 SDF SMILES Flexibase

55470372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-N-(2-hydroxyethyl)-1,1-dioxo-thiolane-3-carboxamide (3S)-N-benzyl-N-(2-hydroxyethyl)…

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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)	0.33	2.05	-18.37	1	5	0	75	297.376	5	↓ MOL2 SDF SMILES Flexibase

55470375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-N-(2-hydroxyethyl)-1,1-dioxo-thiolane-3-carboxamide (3R)-N-benzyl-N-(2-hydroxyethyl)…

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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)	0.33	1.99	-20.06	1	5	0	75	297.376	5	↓ MOL2 SDF SMILES Flexibase

40553992

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[(2,4,6-trimethoxyphenyl)methyl]thiolane-3-carboxamide (3S)-1,1-dioxo-N-[(2,4,6-trimeth…

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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)	0.75	0.24	-19.93	1	7	0	91	343.401	6	↓ MOL2 SDF SMILES Flexibase

40553993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(2,4,6-trimethoxyphenyl)methyl]thiolane-3-carboxamide (3R)-1,1-dioxo-N-[(2,4,6-trimeth…

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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)	0.75	0.24	-20.84	1	7	0	91	343.401	6	↓ MOL2 SDF SMILES Flexibase

70286692

Analogs

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Popular Name: (3S)-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[[4-[(E)-N'-hydroxycarbam…

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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)	-0.97	-1.1	-21.61	4	7	0	122	311.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.97	-1.15	-52.76	5	7	1	123	312.371	4	↓ MOL2 SDF SMILES Flexibase

70286693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[[4-[(E)-N'-hydroxycarbam…

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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)	-0.97	-1.1	-22.89	4	7	0	122	311.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.97	-1.15	-53.85	5	7	1	123	312.371	4	↓ MOL2 SDF SMILES Flexibase

70286694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[[3-[(E)-N'-hydroxycarbam…

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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)	-0.99	-1.11	-21.35	4	7	0	122	311.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.99	-1.17	-52.36	5	7	1	123	312.371	4	↓ MOL2 SDF SMILES Flexibase

70286695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[[3-[(E)-N'-hydroxycarbam…

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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)	-0.99	-1.11	-21.93	4	7	0	122	311.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.99	-1.16	-54.52	5	7	1	123	312.371	4	↓ MOL2 SDF SMILES Flexibase

70286753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(3-aminophenyl)ethyl]-N-methyl-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1S)-1-(3-aminophenyl)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)	0.58	2.21	-18.84	2	5	0	80	296.392	3	↓ MOL2 SDF SMILES Flexibase

70286754

Analogs

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Popular Name: (3S)-N-[(1R)-1-(3-aminophenyl)ethyl]-N-methyl-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1R)-1-(3-aminophenyl)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)	0.58	2.97	-17.81	2	5	0	80	296.392	3	↓ MOL2 SDF SMILES Flexibase

70286755

Analogs

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Popular Name: (3R)-N-[(1S)-1-(3-aminophenyl)ethyl]-N-methyl-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(1S)-1-(3-aminophenyl)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)	0.58	2.88	-19.5	2	5	0	80	296.392	3	↓ MOL2 SDF SMILES Flexibase

70286756

Analogs

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Popular Name: (3R)-N-[(1R)-1-(3-aminophenyl)ethyl]-N-methyl-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(1R)-1-(3-aminophenyl)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)	0.58	2.15	-20.95	2	5	0	80	296.392	3	↓ MOL2 SDF SMILES Flexibase

70286757

Analogs

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Popular Name: (3S)-N-[(5-amino-2-chloro-phenyl)methyl]-N-methyl-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(5-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)	0.65	2.15	-16.14	2	5	0	80	316.81	3	↓ MOL2 SDF SMILES Flexibase

70286758

Analogs

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Popular Name: (3R)-N-[(5-amino-2-chloro-phenyl)methyl]-N-methyl-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(5-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)	0.65	3.02	-21.2	2	5	0	80	316.81	3	↓ MOL2 SDF SMILES Flexibase

70286759

Analogs

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Popular Name: (3S)-N-[(2-aminophenyl)methyl]-N-ethyl-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(2-aminophenyl)methyl]-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)	0.78	3.43	-14.53	2	5	0	80	296.392	4	↓ MOL2 SDF SMILES Flexibase

70286760

Analogs

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Popular Name: (3R)-N-[(2-aminophenyl)methyl]-N-ethyl-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(2-aminophenyl)methyl]-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)	0.78	3.35	-16.11	2	5	0	80	296.392	4	↓ MOL2 SDF SMILES Flexibase

70286761

Analogs

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Popular Name: (3S)-N-[(3-aminophenyl)methyl]-N-ethyl-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(3-aminophenyl)methyl]-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)	0.39	2.93	-16.85	2	5	0	80	296.392	4	↓ MOL2 SDF SMILES Flexibase

70286762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3-aminophenyl)methyl]-N-ethyl-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(3-aminophenyl)methyl]-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)	0.39	2.82	-19.1	2	5	0	80	296.392	4	↓ MOL2 SDF SMILES Flexibase

48948843

Analogs

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Popular Name: (3S)-N-[(4-methylsulfanylphenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(4-methylsulfanylphenyl)…

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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)	1.15	3.24	-17.89	1	4	0	63	299.417	4	↓ MOL2 SDF SMILES Flexibase

48948845

Analogs

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Popular Name: (3R)-N-[(4-methylsulfanylphenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(4-methylsulfanylphenyl)…

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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)	1.15	3.24	-18.73	1	4	0	63	299.417	4	↓ MOL2 SDF SMILES Flexibase

48952102

Analogs

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Popular Name: (3S)-N-benzyl-N-(cyanomethyl)-1,1-dioxo-thiolane-3-carboxamide (3S)-N-benzyl-N-(cyanomethyl)-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)	0.75	4.83	-23.45	0	5	0	78	292.36	4	↓ MOL2 SDF SMILES Flexibase

48952104

Analogs

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Popular Name: (3R)-N-benzyl-N-(cyanomethyl)-1,1-dioxo-thiolane-3-carboxamide (3R)-N-benzyl-N-(cyanomethyl)-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)	0.75	4.81	-22.11	0	5	0	78	292.36	4	↓ MOL2 SDF SMILES Flexibase

49304037

Analogs

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Popular Name: (3S)-N-(1-methyl-1-phenyl-ethyl)-1,1-dioxo-thiolane-3-carboxamide (3S)-N-(1-methyl-1-phenyl-ethyl)…

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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)	1.73	3.49	-16.29	1	4	0	63	281.377	3	↓ MOL2 SDF SMILES Flexibase

49304040

Analogs

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Popular Name: (3R)-N-(1-methyl-1-phenyl-ethyl)-1,1-dioxo-thiolane-3-carboxamide (3R)-N-(1-methyl-1-phenyl-ethyl)…

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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)	1.73	3.5	-17.41	1	4	0	63	281.377	3	↓ MOL2 SDF SMILES Flexibase

49304221

Analogs

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Popular Name: (3S)-N-[(4-bromo-2-chloro-phenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(4-bromo-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)	2.13	3.29	-16.96	1	4	0	63	366.664	3	↓ MOL2 SDF SMILES Flexibase

49304224

Analogs

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Popular Name: (3R)-N-[(4-bromo-2-chloro-phenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(4-bromo-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)	2.13	3.29	-17.61	1	4	0	63	366.664	3	↓ MOL2 SDF SMILES Flexibase

49318729

Analogs

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Popular Name: (3S)-N-[(3-methoxy-4-methyl-phenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(3-methoxy-4-methyl-phen…

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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)	1.15	2.26	-17.98	1	5	0	72	297.376	4	↓ MOL2 SDF SMILES Flexibase

49318730

Analogs

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Popular Name: (3R)-N-[(3-methoxy-4-methyl-phenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(3-methoxy-4-methyl-phen…

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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)	1.15	2.26	-18.95	1	5	0	72	297.376	4	↓ MOL2 SDF SMILES Flexibase

49401946

Analogs

37982636
37982637
37982680
37982681

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Popular Name: (3S)-N-[(3-nitrophenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(3-nitrophenyl)methyl]-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)	0.66	2.93	-22.99	1	7	0	109	298.32	4	↓ MOL2 SDF SMILES Flexibase

49401948

Analogs

37982636
37982637
37982680
37982681

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Popular Name: (3R)-N-[(3-nitrophenyl)methyl]-1,1-dioxo-thiolane-3-carboxamide (3R)-N-[(3-nitrophenyl)methyl]-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)	0.66	2.94	-23.34	1	7	0	109	298.32	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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