ZINC 12

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ZINC Item

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52949391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R)-1,1-dioxothiolan-3-yl]ethyl]cyclopropanamine N-[2-[(3R)-1,1-dioxothiolan-3-yl…

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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)	0.64	2.36	-53.44	2	3	1	51	204.315	4	↓ MOL2 SDF SMILES Flexibase

52949392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]ethyl]cyclopropanamine N-[2-[(3S)-1,1-dioxothiolan-3-yl…

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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)	0.64	2.35	-53.38	2	3	1	51	204.315	4	↓ MOL2 SDF SMILES Flexibase

52951503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methoxy-pentyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	1.26	3.38	-60.24	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methoxy-pentyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	1.26	3.41	-55.1	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]-5-methoxy-pentyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	1.26	3.55	-55.28	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]-5-methoxy-pentyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	1.26	3.44	-59.06	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]hexyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	2.68	5.08	-57.64	2	3	1	51	260.423	7	↓ MOL2 SDF SMILES Flexibase

52951513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]hexyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	2.68	5.12	-52.66	2	3	1	51	260.423	7	↓ MOL2 SDF SMILES Flexibase

52951514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]hexyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	2.68	5.26	-52.55	2	3	1	51	260.423	7	↓ MOL2 SDF SMILES Flexibase

52951515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]hexyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	2.68	5.15	-56.02	2	3	1	51	260.423	7	↓ MOL2 SDF SMILES Flexibase

52951517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]octyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	3.69	6.64	-57.91	2	3	1	51	288.477	9	↓ MOL2 SDF SMILES Flexibase

52951519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]octyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	3.69	6.7	-52.9	2	3	1	51	288.477	9	↓ MOL2 SDF SMILES Flexibase

52951520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]octyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	3.69	6.82	-52.82	2	3	1	51	288.477	9	↓ MOL2 SDF SMILES Flexibase

52951523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]octyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	3.69	6.71	-56.22	2	3	1	51	288.477	9	↓ MOL2 SDF SMILES Flexibase

52951533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-pentyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	2.39	4.86	-56	2	3	1	51	260.423	6	↓ MOL2 SDF SMILES Flexibase

52951535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-pentyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	2.39	4.61	-56.01	2	3	1	51	260.423	6	↓ MOL2 SDF SMILES Flexibase

52951536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-pentyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	2.39	4.86	-54.94	2	3	1	51	260.423	6	↓ MOL2 SDF SMILES Flexibase

52951538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-pentyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	2.39	4.59	-56.35	2	3	1	51	260.423	6	↓ MOL2 SDF SMILES Flexibase

52951540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]butyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	1.62	3.61	-53.87	2	3	1	51	232.369	5	↓ MOL2 SDF SMILES Flexibase

52951542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]butyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	1.62	3.34	-54.47	2	3	1	51	232.369	5	↓ MOL2 SDF SMILES Flexibase

52951544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]butyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	1.62	3.61	-52.84	2	3	1	51	232.369	5	↓ MOL2 SDF SMILES Flexibase

52951546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]butyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	1.62	3.33	-54.12	2	3	1	51	232.369	5	↓ MOL2 SDF SMILES Flexibase

52951548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]heptyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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	5.86	-57.86	2	3	1	51	274.45	8	↓ MOL2 SDF SMILES Flexibase

52951550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]heptyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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	5.91	-52.88	2	3	1	51	274.45	8	↓ MOL2 SDF SMILES Flexibase

52951552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]heptyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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	6.04	-52.77	2	3	1	51	274.45	8	↓ MOL2 SDF SMILES Flexibase

52951553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]heptyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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	5.93	-56.17	2	3	1	51	274.45	8	↓ MOL2 SDF SMILES Flexibase

52951645

Analogs

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Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-butyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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	2.6	-59.8	2	4	1	60	262.395	7	↓ MOL2 SDF SMILES Flexibase

52951648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-butyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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	2.64	-54.6	2	4	1	60	262.395	7	↓ MOL2 SDF SMILES Flexibase

52951649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]-4-methoxy-butyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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	2.79	-54.51	2	4	1	60	262.395	7	↓ MOL2 SDF SMILES Flexibase

52951651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]-4-methoxy-butyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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	2.68	-57.89	2	4	1	60	262.395	7	↓ MOL2 SDF SMILES Flexibase

52951653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]propyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	1.11	2.89	-54	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

52951654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]propyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	1.11	2.86	-52.13	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

52951656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]propyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	1.11	2.87	-51.95	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

52951658

Analogs

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Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]propyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	1.11	2.86	-53.52	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

52951660

Analogs

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Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]pentyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	2.17	4.37	-54.91	2	3	1	51	246.396	6	↓ MOL2 SDF SMILES Flexibase

52951662

Analogs

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Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]pentyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	2.17	4.11	-55.29	2	3	1	51	246.396	6	↓ MOL2 SDF SMILES Flexibase

52951664

Analogs

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Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]pentyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	2.17	4.38	-53.85	2	3	1	51	246.396	6	↓ MOL2 SDF SMILES Flexibase

52951666

Analogs

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Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]pentyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	2.17	4.1	-55.34	2	3	1	51	246.396	6	↓ MOL2 SDF SMILES Flexibase

52951711

Analogs

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Popular Name: N-[(2R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-ethoxy-butyl]cyclopropanamine N-[(2R)-2-[(3S)-1,1-dioxothiolan…

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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)	1.37	3.56	-59.75	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951714

Analogs

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Popular Name: N-[(2S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-ethoxy-butyl]cyclopropanamine N-[(2S)-2-[(3S)-1,1-dioxothiolan…

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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)	1.37	3.61	-54.57	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951716

Analogs

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Popular Name: N-[(2R)-2-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-butyl]cyclopropanamine N-[(2R)-2-[(3R)-1,1-dioxothiolan…

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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)	1.37	3.76	-54.45	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951719

Analogs

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Popular Name: N-[(2S)-2-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-butyl]cyclopropanamine N-[(2S)-2-[(3R)-1,1-dioxothiolan…

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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)	1.37	3.65	-57.83	2	4	1	60	276.422	8	↓ MOL2 SDF SMILES Flexibase

52951737

Analogs

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Popular Name: N-[(2R,4R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-heptyl]cyclopropanamine N-[(2R,4R)-2-[(3S)-1,1-dioxothio…

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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	6.21	-58.38	2	3	1	51	288.477	8	↓ MOL2 SDF SMILES Flexibase

52951738

Analogs

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Popular Name: N-[(2R,4S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-heptyl]cyclopropanamine N-[(2R,4S)-2-[(3S)-1,1-dioxothio…

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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	6.05	-55.52	2	3	1	51	288.477	8	↓ MOL2 SDF SMILES Flexibase

52951740

Analogs

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Popular Name: N-[(2S,4R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-heptyl]cyclopropanamine N-[(2S,4R)-2-[(3S)-1,1-dioxothio…

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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	6.04	-57.52	2	3	1	51	288.477	8	↓ MOL2 SDF SMILES Flexibase

52951742

Analogs

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Popular Name: N-[(2S,4S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-heptyl]cyclopropanamine N-[(2S,4S)-2-[(3S)-1,1-dioxothio…

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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	6.24	-53.03	2	3	1	51	288.477	8	↓ MOL2 SDF SMILES Flexibase

52951751

Analogs

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Popular Name: N-[(2R,4R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-hexyl]cyclopropanamine N-[(2R,4R)-2-[(3S)-1,1-dioxothio…

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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)	2.63	5.46	-58.2	2	3	1	51	274.45	7	↓ MOL2 SDF SMILES Flexibase

52951753

Analogs

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Popular Name: N-[(2R,4S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-hexyl]cyclopropanamine N-[(2R,4S)-2-[(3S)-1,1-dioxothio…

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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)	2.63	5.3	-55.19	2	3	1	51	274.45	7	↓ MOL2 SDF SMILES Flexibase

52951755

Analogs

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Popular Name: N-[(2S,4R)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-hexyl]cyclopropanamine N-[(2S,4R)-2-[(3S)-1,1-dioxothio…

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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)	2.63	5.27	-57.29	2	3	1	51	274.45	7	↓ MOL2 SDF SMILES Flexibase

52951757

Analogs

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Popular Name: N-[(2S,4S)-2-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-hexyl]cyclopropanamine N-[(2S,4S)-2-[(3S)-1,1-dioxothio…

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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)	2.63	5.49	-52.85	2	3	1	51	274.45	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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