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ZINC Item

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62888774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.20	-0.61	-52.14	3	5	1	80	247.34	2	↓ MOL2 SDF SMILES Flexibase

62888777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.20	-0.71	-52.75	3	5	1	80	247.34	2	↓ MOL2 SDF SMILES Flexibase

62888780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.20	-0.59	-52.02	3	5	1	80	247.34	2	↓ MOL2 SDF SMILES Flexibase

62888782

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.20	-0.69	-51.5	3	5	1	80	247.34	2	↓ MOL2 SDF SMILES Flexibase

62888784

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.13	-0.18	-52.51	3	5	1	80	261.367	3	↓ MOL2 SDF SMILES Flexibase

62888787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.13	-0.11	-53.3	3	5	1	80	261.367	3	↓ MOL2 SDF SMILES Flexibase

62888789

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.13	-0.17	-52.33	3	5	1	80	261.367	3	↓ MOL2 SDF SMILES Flexibase

62888791

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.13	-0.09	-51.35	3	5	1	80	261.367	3	↓ MOL2 SDF SMILES Flexibase

62888793

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.69	0.6	-52.96	3	5	1	80	275.394	4	↓ MOL2 SDF SMILES Flexibase

62888796

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.69	0.66	-53.73	3	5	1	80	275.394	4	↓ MOL2 SDF SMILES Flexibase

62888799

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.69	0.61	-52.77	3	5	1	80	275.394	4	↓ MOL2 SDF SMILES Flexibase

62888801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.69	0.68	-51.84	3	5	1	80	275.394	4	↓ MOL2 SDF SMILES Flexibase

62891366

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.28	0.63	-52.81	2	5	1	71	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.28	0.46	-51.93	2	5	1	71	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891368

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.28	0.66	-53.28	2	5	1	71	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.28	0.43	-56.56	2	5	1	71	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891370

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.05	1.12	-62.6	2	5	1	71	275.394	3	↓ MOL2 SDF SMILES Flexibase

62891371

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.05	1.12	-56.71	2	5	1	71	275.394	3	↓ MOL2 SDF SMILES Flexibase

62891372

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.05	1.14	-58.79	2	5	1	71	275.394	3	↓ MOL2 SDF SMILES Flexibase

62891373

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.05	1.13	-57.22	2	5	1	71	275.394	3	↓ MOL2 SDF SMILES Flexibase

62891984

Analogs

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Popular Name: (3S)-3-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(3R)-3-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)	0.25	-0.11	-49.99	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891985

Analogs

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Popular Name: (3R)-3-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(3R)-3-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)	0.25	-0.23	-49.12	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891986

Analogs

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Popular Name: (3S)-3-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(3S)-3-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)	0.25	-0.15	-51.28	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891987

Analogs

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Popular Name: (3R)-3-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(3S)-3-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)	0.25	-0.25	-50.73	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62891993

Analogs

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Popular Name: (3R)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-3-methyl-1,1-dioxo-…

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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)	1.14	1.17	-49.46	3	5	1	80	289.421	4	↓ MOL2 SDF SMILES Flexibase

62894721

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.30	0.75	-52.07	2	6	1	80	305.42	5	↓ MOL2 SDF SMILES Flexibase

62894722

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.30	0.8	-50.9	2	6	1	80	305.42	5	↓ MOL2 SDF SMILES Flexibase

62894723

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.30	0.61	-53.58	2	6	1	80	305.42	5	↓ MOL2 SDF SMILES Flexibase

62894724

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.30	0.69	-55.91	2	6	1	80	305.42	5	↓ MOL2 SDF SMILES Flexibase

62894725

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.03	1.25	-55.53	2	6	1	80	319.447	6	↓ MOL2 SDF SMILES Flexibase

62894726

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.03	1.2	-55.04	2	6	1	80	319.447	6	↓ MOL2 SDF SMILES Flexibase

62894727

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.03	1.25	-61.59	2	6	1	80	319.447	6	↓ MOL2 SDF SMILES Flexibase

62894728

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-3-…

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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)	0.03	1.31	-50.12	2	6	1	80	319.447	6	↓ MOL2 SDF SMILES Flexibase

62894829

Analogs

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Popular Name: (3R)-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-butyl-N-[(3R)-1,1-dioxoth…

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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	2.81	-51.98	2	5	1	71	303.448	5	↓ MOL2 SDF SMILES Flexibase

62894830

Analogs

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Popular Name: (3R)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-butyl-N-[(3S)-1,1-dioxoth…

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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	2.83	-56.48	2	5	1	71	303.448	5	↓ MOL2 SDF SMILES Flexibase

62894831

Analogs

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Popular Name: (3S)-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-butyl-N-[(3R)-1,1-dioxoth…

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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	2.72	-53.86	2	5	1	71	303.448	5	↓ MOL2 SDF SMILES Flexibase

62894832

Analogs

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Popular Name: (3S)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-butyl-N-[(3S)-1,1-dioxoth…

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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	2.75	-54.33	2	5	1	71	303.448	5	↓ MOL2 SDF SMILES Flexibase

62894833

Analogs

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Popular Name: (3R)-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-butyl-N-[(3R)-1,1-dioxoth…

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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)	1.49	3.23	-59.23	2	5	1	71	317.475	6	↓ MOL2 SDF SMILES Flexibase

62894834

Analogs

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Popular Name: (3R)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-butyl-N-[(3S)-1,1-dioxoth…

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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)	1.49	3.25	-57.92	2	5	1	71	317.475	6	↓ MOL2 SDF SMILES Flexibase

62894835

Analogs

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Popular Name: (3S)-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-butyl-N-[(3R)-1,1-dioxoth…

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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)	1.49	3.28	-56.56	2	5	1	71	317.475	6	↓ MOL2 SDF SMILES Flexibase

62894836

Analogs

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Popular Name: (3S)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-butyl-N-[(3S)-1,1-dioxoth…

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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)	1.49	3.28	-64.29	2	5	1	71	317.475	6	↓ MOL2 SDF SMILES Flexibase

62894927

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-diethyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.42	1.66	-61.6	2	5	1	71	289.421	4	↓ MOL2 SDF SMILES Flexibase

62894928

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-diethyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.42	1.62	-56.62	2	5	1	71	289.421	4	↓ MOL2 SDF SMILES Flexibase

62894929

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-diethyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.42	1.63	-57.27	2	5	1	71	289.421	4	↓ MOL2 SDF SMILES Flexibase

62894930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-diethyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.42	1.65	-58.31	2	5	1	71	289.421	4	↓ MOL2 SDF SMILES Flexibase

62895295

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.92	-0.84	-55.6	3	6	1	91	291.393	4	↓ MOL2 SDF SMILES Flexibase

62895296

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.92	-0.87	-53.1	3	6	1	91	291.393	4	↓ MOL2 SDF SMILES Flexibase

62895297

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.92	-0.88	-55.21	3	6	1	91	291.393	4	↓ MOL2 SDF SMILES Flexibase

62895298

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.92	-0.84	-56.61	3	6	1	91	291.393	4	↓ MOL2 SDF SMILES Flexibase

62895299

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.58	-1.13	-59.37	3	6	1	91	305.42	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 300046
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 300046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=300046&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "300046"        

    });
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