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ZINC Item

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62035339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[3-methoxypropyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[[3-methoxypropyl(met…

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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)	0.94	3.73	-32.72	2	4	1	38	257.398	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	5.48	-106.01	3	4	2	40	258.406	9	↓ MOL2 SDF SMILES Flexibase

62035340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[3-methoxypropyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[[3-methoxypropyl(met…

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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)	0.94	4.19	-40.41	2	4	1	38	257.398	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	5.82	-100.3	3	4	2	40	258.406	9	↓ MOL2 SDF SMILES Flexibase

54665111

Analogs

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Popular Name: N-[[(3R)-3-(3-methoxypropyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(3-methoxypropyl)tetr…

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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)	1.18	4.22	-35.52	2	3	1	35	214.329	7	↓ MOL2 SDF SMILES Flexibase

54665113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-(3-methoxypropyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(3-methoxypropyl)tetr…

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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)	1.18	4.25	-40.68	2	3	1	35	214.329	7	↓ MOL2 SDF SMILES Flexibase

54665129

Analogs

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Popular Name: N-[[(3R)-3-butyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-butyltetrahydrofuran-…

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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)	2.59	5.93	-32.65	2	2	1	26	198.33	6	↓ MOL2 SDF SMILES Flexibase

54665131

Analogs

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Popular Name: N-[[(3S)-3-butyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-butyltetrahydrofuran-…

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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)	2.59	5.96	-37.61	2	2	1	26	198.33	6	↓ MOL2 SDF SMILES Flexibase

54665133

Analogs

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Popular Name: N-[[(3R)-3-hexyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-hexyltetrahydrofuran-…

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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)	3.60	7.49	-32.74	2	2	1	26	226.384	8	↓ MOL2 SDF SMILES Flexibase

54665135

Analogs

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Popular Name: N-[[(3S)-3-hexyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-hexyltetrahydrofuran-…

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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)	3.60	7.52	-37.55	2	2	1	26	226.384	8	↓ MOL2 SDF SMILES Flexibase

54665137

Analogs

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Popular Name: N-[[(3R)-3-isopentyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-isopentyltetrahydrofu…

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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)	2.57	6.45	-33	2	2	1	26	212.357	6	↓ MOL2 SDF SMILES Flexibase

54665139

Analogs

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Popular Name: N-[[(3S)-3-isopentyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-isopentyltetrahydrofu…

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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)	2.57	6.47	-37.84	2	2	1	26	212.357	6	↓ MOL2 SDF SMILES Flexibase

54665141

Analogs

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Popular Name: N-[[(3R)-3-isobutyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-isobutyltetrahydrofur…

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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)	2.30	5.59	-32.91	2	2	1	26	198.33	5	↓ MOL2 SDF SMILES Flexibase

54665143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-isobutyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-isobutyltetrahydrofur…

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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)	2.30	5.4	-38.21	2	2	1	26	198.33	5	↓ MOL2 SDF SMILES Flexibase

54665145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-ethyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-ethyltetrahydrofuran-…

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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)	1.53	4.19	-35.39	2	2	1	26	170.276	4	↓ MOL2 SDF SMILES Flexibase

54665146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-ethyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-ethyltetrahydrofuran-…

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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)	1.53	4.34	-37.62	2	2	1	26	170.276	4	↓ MOL2 SDF SMILES Flexibase

54665149

Analogs

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Popular Name: N-[[(3R)-3-pentyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-pentyltetrahydrofuran…

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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)	3.10	6.71	-32.71	2	2	1	26	212.357	7	↓ MOL2 SDF SMILES Flexibase

54665151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-pentyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-pentyltetrahydrofuran…

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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)	3.10	6.74	-37.55	2	2	1	26	212.357	7	↓ MOL2 SDF SMILES Flexibase

54665220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(2-methoxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(2-methoxyethyl)tetra…

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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)	0.90	3.26	-36.73	2	3	1	35	200.302	6	↓ MOL2 SDF SMILES Flexibase

54665222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-(2-methoxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(2-methoxyethyl)tetra…

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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)	0.90	3.4	-39.14	2	3	1	35	200.302	6	↓ MOL2 SDF SMILES Flexibase

54665235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-methyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-methyltetrahydrofuran…

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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)	1.19	3.68	-36.73	2	2	1	26	156.249	3	↓ MOL2 SDF SMILES Flexibase

54665237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-methyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-methyltetrahydrofuran…

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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)	1.19	3.69	-35.72	2	2	1	26	156.249	3	↓ MOL2 SDF SMILES Flexibase

54665239

Analogs

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Popular Name: N-[[(3R)-3-propyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-propyltetrahydrofuran…

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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)	2.09	5.15	-32.43	2	2	1	26	184.303	5	↓ MOL2 SDF SMILES Flexibase

54665241

Analogs

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Popular Name: N-[[(3S)-3-propyltetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-propyltetrahydrofuran…

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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)	2.09	5.18	-37.5	2	2	1	26	184.303	5	↓ MOL2 SDF SMILES Flexibase

54665278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-(2-ethoxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(2-ethoxyethyl)tetrah…

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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)	1.28	4.24	-36.75	2	3	1	35	214.329	7	↓ MOL2 SDF SMILES Flexibase

54665280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(2-ethoxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(2-ethoxyethyl)tetrah…

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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)	1.28	4.37	-38.98	2	3	1	35	214.329	7	↓ MOL2 SDF SMILES Flexibase

54665312

Analogs

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Popular Name: N-[[(3R)-3-[(2R)-2-methylpentyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[(2R)-2-methylpentyl]…

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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)	3.10	6.98	-33.39	2	2	1	26	226.384	7	↓ MOL2 SDF SMILES Flexibase

54665314

Analogs

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Popular Name: N-[[(3R)-3-[(2S)-2-methylpentyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[(2S)-2-methylpentyl]…

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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)	3.10	6.95	-33.38	2	2	1	26	226.384	7	↓ MOL2 SDF SMILES Flexibase

54665316

Analogs

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Popular Name: N-[[(3S)-3-[(2R)-2-methylpentyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[(2R)-2-methylpentyl]…

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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)	3.10	7.18	-37.76	2	2	1	26	226.384	7	↓ MOL2 SDF SMILES Flexibase

54665318

Analogs

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Popular Name: N-[[(3S)-3-[(2S)-2-methylpentyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[(2S)-2-methylpentyl]…

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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)	3.10	6.75	-39.06	2	2	1	26	226.384	7	↓ MOL2 SDF SMILES Flexibase

54665327

Analogs

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Popular Name: N-[[(3R)-3-[(2R)-2-methylbutyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[(2R)-2-methylbutyl]t…

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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)	2.55	6.22	-33.11	2	2	1	26	212.357	6	↓ MOL2 SDF SMILES Flexibase

54665330

Analogs

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Popular Name: N-[[(3R)-3-[(2S)-2-methylbutyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[(2S)-2-methylbutyl]t…

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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)	2.55	6.19	-33.04	2	2	1	26	212.357	6	↓ MOL2 SDF SMILES Flexibase

54665332

Analogs

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Popular Name: N-[[(3S)-3-[(2R)-2-methylbutyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[(2R)-2-methylbutyl]t…

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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)	2.55	6.41	-37.78	2	2	1	26	212.357	6	↓ MOL2 SDF SMILES Flexibase

54665333

Analogs

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Popular Name: N-[[(3S)-3-[(2S)-2-methylbutyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[(2S)-2-methylbutyl]t…

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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)	2.55	5.98	-38.59	2	2	1	26	212.357	6	↓ MOL2 SDF SMILES Flexibase

54665350

Analogs

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Popular Name: N-[[(3S)-3-(2-methylsulfonylethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(2-methylsulfonylethy…

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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)	0.32	1.95	-44.37	2	4	1	60	248.368	6	↓ MOL2 SDF SMILES Flexibase

54665352

Analogs

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Popular Name: N-[[(3R)-3-(2-methylsulfonylethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(2-methylsulfonylethy…

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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)	0.32	1.99	-47.91	2	4	1	60	248.368	6	↓ MOL2 SDF SMILES Flexibase

54665353

Analogs

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Popular Name: N-[[(3S)-3-(2-ethylsulfonylethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(2-ethylsulfonylethyl…

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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)	0.70	2.83	-44.34	2	4	1	60	262.395	7	↓ MOL2 SDF SMILES Flexibase

54665356

Analogs

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Popular Name: N-[[(3R)-3-(2-ethylsulfonylethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(2-ethylsulfonylethyl…

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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)	0.70	2.88	-47.85	2	4	1	60	262.395	7	↓ MOL2 SDF SMILES Flexibase

54665370

Analogs

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Popular Name: N-[[(3S)-3-(2-isopentyloxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(2-isopentyloxyethyl)…

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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)	2.56	6.33	-36.67	2	3	1	35	256.41	9	↓ MOL2 SDF SMILES Flexibase

54665371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(2-isopentyloxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(2-isopentyloxyethyl)…

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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)	2.56	6.46	-38.88	2	3	1	35	256.41	9	↓ MOL2 SDF SMILES Flexibase

54665373

Analogs

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Popular Name: N-[[(3R)-3-[2-(2,2,2-trifluoroethoxy)ethyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[2-(2,2,2-trifluoroet…

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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)	1.83	4.82	-41.27	2	3	1	35	268.299	8	↓ MOL2 SDF SMILES Flexibase

54665375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[2-(2,2,2-trifluoroethoxy)ethyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[2-(2,2,2-trifluoroet…

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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)	1.83	4.67	-39.6	2	3	1	35	268.299	8	↓ MOL2 SDF SMILES Flexibase

54665408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-(2-isopropoxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(2-isopropoxyethyl)te…

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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)	1.64	5.16	-34.25	2	3	1	35	228.356	7	↓ MOL2 SDF SMILES Flexibase

54665410

Analogs

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Popular Name: N-[[(3R)-3-(2-isopropoxyethyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(2-isopropoxyethyl)te…

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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)	1.64	5.2	-39.22	2	3	1	35	228.356	7	↓ MOL2 SDF SMILES Flexibase

54665412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[3-(2,2,2-trifluoroethoxy)propyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-[3-(2,2,2-trifluoroet…

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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	5.68	-43.57	2	3	1	35	282.326	9	↓ MOL2 SDF SMILES Flexibase

54665414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[3-(2,2,2-trifluoroethoxy)propyl]tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-[3-(2,2,2-trifluoroet…

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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	5.65	-38.63	2	3	1	35	282.326	9	↓ MOL2 SDF SMILES Flexibase

54665449

Analogs

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Popular Name: N-[[(3R)-3-(3,3-dimethylbutyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3R)-3-(3,3-dimethylbutyl)te…

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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)	2.89	6.83	-33.37	2	2	1	26	226.384	6	↓ MOL2 SDF SMILES Flexibase

54665451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-(3,3-dimethylbutyl)tetrahydrofuran-3-yl]methyl]cyclopropanamine N-[[(3S)-3-(3,3-dimethylbutyl)te…

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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)	2.89	6.86	-38.19	2	2	1	26	226.384	6	↓ MOL2 SDF SMILES Flexibase

37079543

Analogs

42555216
42555219
42580419
42580422

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-[(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)	0.36	1.73	-47.24	3	3	1	40	199.318	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.36	1.09	-2.66	2	3	0	38	198.31	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.36	3.04	-117.68	4	3	2	41	200.326	5	↓ MOL2 SDF SMILES Flexibase

37079544

Analogs

42555216
42555219
42580419
42580422

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-[(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)	0.36	1.1	-42.8	3	3	1	40	199.318	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.36	0.51	-2.06	2	3	0	38	198.31	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.36	2.93	-117.64	4	3	2	41	200.326	5	↓ MOL2 SDF SMILES Flexibase

37080623

Analogs

42555216
42555219
42580419
42580422

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-methyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1R)-N-cyclopropyl-N-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)	-0.01	1.06	-46.64	3	3	1	40	185.291	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.01	2.64	-116.4	4	3	2	41	186.299	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.01	2.82	-31.12	3	3	1	40	185.291	4	↓ MOL2 SDF SMILES Flexibase

37080624

Analogs

42555216
42555219
42580419
42580422

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-methyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1S)-N-cyclopropyl-N-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)	-0.01	0.54	-42.02	3	3	1	40	185.291	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.01	2.33	-118.58	4	3	2	41	186.299	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.01	1.96	-31.37	3	3	1	40	185.291	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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