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40333020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-2-chloro-N-ethyl-N-[[(3S…

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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)	1.45	4.55	-12.91	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333021

Analogs

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Popular Name: 5-amino-2-chloro-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-2-chloro-N-ethyl-N-[[(3R…

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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)	1.45	4.74	-11.58	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333022

Analogs

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Popular Name: 2-amino-4-chloro-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-4-chloro-N-ethyl-N-[[(3S…

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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)	1.86	5	-8.59	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333023

Analogs

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Popular Name: 2-amino-4-chloro-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-4-chloro-N-ethyl-N-[[(3R…

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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)	1.86	4.9	-7.07	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333024

Analogs

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Popular Name: 4-amino-2-chloro-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 4-amino-2-chloro-N-ethyl-N-[[(3S…

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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)	1.45	4.53	-13.11	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 4-amino-2-chloro-N-ethyl-N-[[(3R…

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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)	1.45	4.75	-12.01	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333026

Analogs

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Popular Name: 2-amino-5-chloro-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-5-chloro-N-ethyl-N-[[(3S…

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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)	1.86	5	-8.53	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333027

Analogs

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Popular Name: 2-amino-5-chloro-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-5-chloro-N-ethyl-N-[[(3R…

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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)	1.86	4.89	-7.19	2	4	0	56	282.771	4	↓ MOL2 SDF SMILES Flexibase

40333028

Analogs

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Popular Name: 3-amino-N-ethyl-4-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-4-methoxy-N-[[(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)	1.24	3.48	-12.15	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

40333029

Analogs

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Popular Name: 3-amino-N-ethyl-4-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-4-methoxy-N-[[(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)	1.24	3.36	-10.2	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

40333030

Analogs

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Popular Name: 3-amino-N-ethyl-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-2-methyl-N-[[(3S…

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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)	1.60	5.03	-10.6	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

40333031

Analogs

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Popular Name: 3-amino-N-ethyl-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-2-methyl-N-[[(3R…

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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)	1.60	4.97	-8.84	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

40333034

Analogs

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Popular Name: 2-amino-N-ethyl-3-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-ethyl-3-methyl-N-[[(3S…

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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)	1.60	5.26	-9.33	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

40333035

Analogs

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Popular Name: 2-amino-N-ethyl-3-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-ethyl-3-methyl-N-[[(3R…

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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)	1.60	5.15	-7.82	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

40333036

Analogs

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Popular Name: 2-amino-N-ethyl-6-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-ethyl-6-methyl-N-[[(3S…

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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)	1.60	4.72	-9.67	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

40333037

Analogs

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Popular Name: 2-amino-N-ethyl-6-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-ethyl-6-methyl-N-[[(3R…

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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)	1.60	4.65	-7.96	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

40333038

Analogs

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Popular Name: 3-amino-N-ethyl-4-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-4-fluoro-N-[[(3S…

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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)	1.34	4.15	-10.59	2	4	0	56	266.316	4	↓ MOL2 SDF SMILES Flexibase

40333039

Analogs

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Popular Name: 3-amino-N-ethyl-4-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-4-fluoro-N-[[(3R…

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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)	1.34	4.04	-9.28	2	4	0	56	266.316	4	↓ MOL2 SDF SMILES Flexibase

40333044

Analogs

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Popular Name: 5-amino-N-ethyl-2-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-ethyl-2-fluoro-N-[[(3S…

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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	4.13	-15.67	2	4	0	56	266.316	4	↓ MOL2 SDF SMILES Flexibase

40333045

Analogs

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Popular Name: 5-amino-N-ethyl-2-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-ethyl-2-fluoro-N-[[(3R…

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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	4.33	-13.62	2	4	0	56	266.316	4	↓ MOL2 SDF SMILES Flexibase

40333058

Analogs

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Popular Name: 3-amino-N-ethyl-5-fluoro-4-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-5-fluoro-4-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	4.87	-9.74	2	4	0	56	280.343	4	↓ MOL2 SDF SMILES Flexibase

40333059

Analogs

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Popular Name: 3-amino-N-ethyl-5-fluoro-4-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-ethyl-5-fluoro-4-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	4.75	-8.42	2	4	0	56	280.343	4	↓ MOL2 SDF SMILES Flexibase

40333062

Analogs

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Popular Name: 2-amino-N-ethyl-5-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-ethyl-5-methoxy-N-[[(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)	1.24	3.77	-9.98	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

40333063

Analogs

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Popular Name: 2-amino-N-ethyl-5-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-ethyl-5-methoxy-N-[[(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)	1.24	3.67	-8.63	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

40333070

Analogs

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Popular Name: 3-amino-4-bromo-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-bromo-N-ethyl-N-[[(3S)…

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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)	1.99	4.76	-10.12	2	4	0	56	327.222	4	↓ MOL2 SDF SMILES Flexibase

40333071

Analogs

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Popular Name: 3-amino-4-bromo-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-bromo-N-ethyl-N-[[(3R)…

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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)	1.99	4.65	-8.91	2	4	0	56	327.222	4	↓ MOL2 SDF SMILES Flexibase

40333072

Analogs

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Popular Name: 5-amino-N-ethyl-2-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-ethyl-2-methoxy-N-[[(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)	1.38	4.38	-14.67	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

40333073

Analogs

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Popular Name: 5-amino-N-ethyl-2-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-ethyl-2-methoxy-N-[[(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)	1.38	3.63	-13.17	2	5	0	65	278.352	5	↓ MOL2 SDF SMILES Flexibase

40333078

Analogs

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Popular Name: 2,4-diamino-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2,4-diamino-N-ethyl-N-[[(3S)-tet…

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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	2.35	-10.18	4	5	0	82	263.341	4	↓ MOL2 SDF SMILES Flexibase

40333079

Analogs

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Popular Name: 2,4-diamino-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2,4-diamino-N-ethyl-N-[[(3R)-tet…

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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	2.25	-8.66	4	5	0	82	263.341	4	↓ MOL2 SDF SMILES Flexibase

40333080

Analogs

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Popular Name: 3,5-diamino-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3,5-diamino-N-ethyl-N-[[(3S)-tet…

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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	1.93	-12.43	4	5	0	82	263.341	4	↓ MOL2 SDF SMILES Flexibase

40333081

Analogs

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Popular Name: 3,5-diamino-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3,5-diamino-N-ethyl-N-[[(3R)-tet…

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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	1.81	-10.85	4	5	0	82	263.341	4	↓ MOL2 SDF SMILES Flexibase

40333082

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4,5-dichloro-N-ethyl-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)	2.46	5.1	-8.67	2	4	0	56	317.216	4	↓ MOL2 SDF SMILES Flexibase

40333083

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4,5-dichloro-N-ethyl-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)	2.46	4.99	-7.44	2	4	0	56	317.216	4	↓ MOL2 SDF SMILES Flexibase

40333084

Analogs

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Popular Name: 3-amino-4-(dimethylamino)-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-(dimethylamino)-N-ethy…

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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	5.34	-10.57	2	5	0	59	291.395	5	↓ MOL2 SDF SMILES Flexibase

40333085

Analogs

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Popular Name: 3-amino-4-(dimethylamino)-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-(dimethylamino)-N-ethy…

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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	5.23	-9.01	2	5	0	59	291.395	5	↓ MOL2 SDF SMILES Flexibase

40333086

Analogs

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Popular Name: 5-amino-2-(dimethylamino)-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-2-(dimethylamino)-N-ethy…

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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)	0.87	5.52	-10.77	2	5	0	59	291.395	5	↓ MOL2 SDF SMILES Flexibase

40333087

Analogs

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Popular Name: 5-amino-2-(dimethylamino)-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-2-(dimethylamino)-N-ethy…

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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)	0.87	5.41	-8.97	2	5	0	59	291.395	5	↓ MOL2 SDF SMILES Flexibase

40333088

Analogs

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Popular Name: 3-amino-4-ethoxy-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-ethoxy-N-ethyl-N-[[(3S…

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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)	1.61	4.4	-11.9	2	5	0	65	292.379	6	↓ MOL2 SDF SMILES Flexibase

40333089

Analogs

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Popular Name: 3-amino-4-ethoxy-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-ethoxy-N-ethyl-N-[[(3R…

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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)	1.61	4.29	-9.87	2	5	0	65	292.379	6	↓ MOL2 SDF SMILES Flexibase

40333102

Analogs

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Popular Name: 5-amino-N-ethyl-2,4-difluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-ethyl-2,4-difluoro-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)	1.43	4.2	-13.86	2	4	0	56	284.306	4	↓ MOL2 SDF SMILES Flexibase

40333103

Analogs

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Popular Name: 5-amino-N-ethyl-2,4-difluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-ethyl-2,4-difluoro-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)	1.43	4.41	-12.03	2	4	0	56	284.306	4	↓ MOL2 SDF SMILES Flexibase

54416389

Analogs

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Popular Name: 3-fluoro-4-nitro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-fluoro-4-nitro-N-[[(3S)-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)	1.67	4.5	-11.44	1	6	0	84	268.244	4	↓ MOL2 SDF SMILES Flexibase

54416390

Analogs

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Popular Name: 3-fluoro-4-nitro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-fluoro-4-nitro-N-[[(3R)-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)	1.67	4.49	-11.28	1	6	0	84	268.244	4	↓ MOL2 SDF SMILES Flexibase

54416410

Analogs

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Popular Name: N-ethyl-3-fluoro-4-nitro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide N-ethyl-3-fluoro-4-nitro-N-[[(3S…

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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)	1.82	6.92	-14.52	0	6	0	75	296.298	5	↓ MOL2 SDF SMILES Flexibase

54416411

Analogs

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Popular Name: N-ethyl-3-fluoro-4-nitro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide N-ethyl-3-fluoro-4-nitro-N-[[(3R…

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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)	1.82	6.81	-10.09	0	6	0	75	296.298	5	↓ MOL2 SDF SMILES Flexibase

62819662

Analogs

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Popular Name: 2-(isopropylamino)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-(isopropylamino)-N-[[(3S)-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)	2.77	4.48	-8.42	2	4	0	50	262.353	5	↓ MOL2 SDF SMILES Flexibase

62819663

Analogs

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Popular Name: 2-(isopropylamino)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-(isopropylamino)-N-[[(3R)-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)	2.77	4.49	-7.99	2	4	0	50	262.353	5	↓ MOL2 SDF SMILES Flexibase

62819849

Analogs

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Popular Name: N-ethyl-2-(ethylamino)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide N-ethyl-2-(ethylamino)-N-[[(3S)-…

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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)	1.95	6.2	-7.44	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

62819850

Analogs

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Popular Name: N-ethyl-2-(ethylamino)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide N-ethyl-2-(ethylamino)-N-[[(3R)-…

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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)	1.95	6.26	-9.3	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 14973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<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', {
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