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ZINC Item

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53662348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(3R)-1-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)	1.00	5.53	-89.48	5	4	2	61	277.412	6	↓ MOL2 SDF SMILES Flexibase

53662349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(3S)-1-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)	1.00	5.55	-90.15	5	4	2	61	277.412	6	↓ MOL2 SDF SMILES Flexibase

53662350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(3R)-1-meth…

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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)	0.62	4.82	-90.47	5	4	2	61	263.385	5	↓ MOL2 SDF SMILES Flexibase

53662351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(3S)-1-meth…

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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)	0.62	4.83	-90.86	5	4	2	61	263.385	5	↓ MOL2 SDF SMILES Flexibase

53662969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(3R)-1-isop…

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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)	1.30	6.02	-88.62	5	4	2	61	291.439	6	↓ MOL2 SDF SMILES Flexibase

53662972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(3S)-1-isop…

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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)	1.30	6.05	-89.15	5	4	2	61	291.439	6	↓ MOL2 SDF SMILES Flexibase

54414852

Analogs

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Popular Name: 3-amino-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(3R)-1-ethylpyrrolid…

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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)	1.41	5.5	-45.85	4	7	1	105	293.347	5	↓ MOL2 SDF SMILES Flexibase

54414853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(3S)-1-ethylpyrrolid…

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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)	1.41	5.52	-46.46	4	7	1	105	293.347	5	↓ MOL2 SDF SMILES Flexibase

54414854

Analogs

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Popular Name: 3-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(3R)-1-methylpyrroli…

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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)	1.03	4.8	-46.9	4	7	1	105	279.32	4	↓ MOL2 SDF SMILES Flexibase

54414855

Analogs

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Popular Name: 3-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-amino-N-[[(3S)-1-methylpyrroli…

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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)	1.03	4.8	-47.19	4	7	1	105	279.32	4	↓ MOL2 SDF SMILES Flexibase

54414856

Analogs

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Popular Name: 3-(methylamino)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-(methylamino)-N-[[(3S)-1-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)	1.41	5.72	-46.57	3	7	1	91	293.347	5	↓ MOL2 SDF SMILES Flexibase

54414857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(methylamino)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-(methylamino)-N-[[(3R)-1-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)	1.41	5.72	-47.3	3	7	1	91	293.347	5	↓ MOL2 SDF SMILES Flexibase

54415524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-hydrazino-N-[[(3R)-1-methylpyr…

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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)	0.79	4.51	-47.47	5	8	1	117	294.335	5	↓ MOL2 SDF SMILES Flexibase

54415525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-hydrazino-N-[[(3S)-1-methylpyr…

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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)	0.79	4.5	-47.51	5	8	1	117	294.335	5	↓ MOL2 SDF SMILES Flexibase

54416276

Analogs

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Popular Name: N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-fluoro-4-nitro-benzamide N-[[(3R)-1-ethylpyrrolidin-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)	2.09	7.46	-51.19	2	6	1	79	296.322	5	↓ MOL2 SDF SMILES Flexibase

54416277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-fluoro-4-nitro-benzamide N-[[(3S)-1-ethylpyrrolidin-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)	2.09	7.48	-51.8	2	6	1	79	296.322	5	↓ MOL2 SDF SMILES Flexibase

54416278

Analogs

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Popular Name: 3-fluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-fluoro-N-[[(3R)-1-methylpyrrol…

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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)	1.71	6.75	-52.19	2	6	1	79	282.295	4	↓ MOL2 SDF SMILES Flexibase

54416279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-nitro-benzamide 3-fluoro-N-[[(3S)-1-methylpyrrol…

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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)	1.71	6.76	-52.58	2	6	1	79	282.295	4	↓ MOL2 SDF SMILES Flexibase

54758645

Analogs

37844977
37844976
37989346
37989347

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 5-bromo-2-chloro-N-[[(3S)-1-(2,2…

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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)	4.00	8.12	-46.4	2	3	1	34	400.646	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.00	5.79	-8.41	1	3	0	32	399.638	5	↓ MOL2 SDF SMILES Flexibase

54758647

Analogs

37844977
37844976
37989346
37989347

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 5-bromo-2-chloro-N-[[(3R)-1-(2,2…

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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)	4.00	8.14	-46.65	2	3	1	34	400.646	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.00	5.72	-8.39	1	3	0	32	399.638	5	↓ MOL2 SDF SMILES Flexibase

58307902

Analogs

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Popular Name: 2-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 2-methoxy-N-[[(3S)-1-(2,2,2-trif…

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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)	3.15	7.54	-49.54	2	4	1	43	317.331	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	5.21	-12.56	1	4	0	42	316.323	6	↓ MOL2 SDF SMILES Flexibase

58307907

Analogs

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Popular Name: 2-methoxy-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 2-methoxy-N-[[(3R)-1-(2,2,2-trif…

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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)	3.15	7.51	-50.13	2	4	1	43	317.331	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	5.18	-13.71	1	4	0	42	316.323	6	↓ MOL2 SDF SMILES Flexibase

58308934

Analogs

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Popular Name: 4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 4-methoxy-N-[[(3S)-1-(2,2,2-trif…

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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)	2.64	6.29	-48.29	2	4	1	43	317.331	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	3.96	-10.04	1	4	0	42	316.323	6	↓ MOL2 SDF SMILES Flexibase

58308936

Analogs

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Popular Name: 4-methoxy-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 4-methoxy-N-[[(3R)-1-(2,2,2-trif…

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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)	2.64	6.26	-48.84	2	4	1	43	317.331	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	3.92	-11.09	1	4	0	42	316.323	6	↓ MOL2 SDF SMILES Flexibase

58312475

Analogs

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Popular Name: 2,3-dimethoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 2,3-dimethoxy-N-[[(3S)-1-(2,2,2-…

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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)	2.96	7.3	-52.27	2	5	1	52	347.357	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.96	4.98	-14.1	1	5	0	51	346.349	7	↓ MOL2 SDF SMILES Flexibase

58312478

Analogs

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Popular Name: 2,3-dimethoxy-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 2,3-dimethoxy-N-[[(3R)-1-(2,2,2-…

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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)	2.96	7.33	-52.52	2	5	1	52	347.357	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.96	4.9	-14.02	1	5	0	51	346.349	7	↓ MOL2 SDF SMILES Flexibase

58328170

Analogs

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Popular Name: 4-(isopropylcarbamoylamino)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 4-(isopropylcarbamoylamino)-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)	2.52	6.37	-49.79	4	6	1	75	347.483	6	↓ MOL2 SDF SMILES Flexibase

58328173

Analogs

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Popular Name: 4-(isopropylcarbamoylamino)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 4-(isopropylcarbamoylamino)-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)	2.52	6.41	-49.53	4	6	1	75	347.483	6	↓ MOL2 SDF SMILES Flexibase

58331957

Analogs

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Popular Name: 4-(dimethylamino)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 4-(dimethylamino)-N-[[(3S)-1-(2,…

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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)	2.69	7.39	-47.99	2	4	1	37	330.374	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.69	5.07	-10.42	1	4	0	36	329.366	6	↓ MOL2 SDF SMILES Flexibase

58331958

Analogs

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Popular Name: 4-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 4-(dimethylamino)-N-[[(3R)-1-(2,…

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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)	2.69	7.37	-48.57	2	4	1	37	330.374	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.69	5.04	-11.49	1	4	0	36	329.366	6	↓ MOL2 SDF SMILES Flexibase

58342957

Analogs

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Popular Name: 4-(dimethylamino)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 4-(dimethylamino)-N-[[(3R)-1-iso…

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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)	2.44	7.6	-40.46	2	4	1	37	290.431	5	↓ MOL2 SDF SMILES Flexibase

58342958

Analogs

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Popular Name: 4-(dimethylamino)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 4-(dimethylamino)-N-[[(3S)-1-iso…

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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)	2.44	7.62	-41.08	2	4	1	37	290.431	5	↓ MOL2 SDF SMILES Flexibase

58342999

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Popular Name: 3-(isopropylcarbamoylamino)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 3-(isopropylcarbamoylamino)-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)	2.49	6.39	-49.66	4	6	1	75	347.483	6	↓ MOL2 SDF SMILES Flexibase

58343000

Analogs

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Popular Name: 3-(isopropylcarbamoylamino)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 3-(isopropylcarbamoylamino)-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)	2.49	6.34	-50.04	4	6	1	75	347.483	6	↓ MOL2 SDF SMILES Flexibase

58344438

Analogs

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Popular Name: 3-(dimethylamino)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 3-(dimethylamino)-N-[[(3S)-1-(2,…

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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)	2.67	7.39	-48.15	2	4	1	37	330.374	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.67	5.05	-10.55	1	4	0	36	329.366	6	↓ MOL2 SDF SMILES Flexibase

58344439

Analogs

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Popular Name: 3-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide 3-(dimethylamino)-N-[[(3R)-1-(2,…

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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)	2.67	7.37	-48.71	2	4	1	37	330.374	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.67	5.02	-11.57	1	4	0	36	329.366	6	↓ MOL2 SDF SMILES Flexibase

62819652

Analogs

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Popular Name: N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2-(isopropylamino)benzamide N-[[(3R)-1-ethylpyrrolidin-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)	3.19	7.37	-39.23	3	4	1	46	290.431	6	↓ MOL2 SDF SMILES Flexibase

62819653

Analogs

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Popular Name: N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-(isopropylamino)benzamide N-[[(3S)-1-ethylpyrrolidin-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)	3.19	7.39	-39.75	3	4	1	46	290.431	6	↓ MOL2 SDF SMILES Flexibase

62819654

Analogs

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Popular Name: 2-(isopropylamino)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide 2-(isopropylamino)-N-[[(3S)-1-me…

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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)	2.81	6.7	-40.93	3	4	1	46	276.404	5	↓ MOL2 SDF SMILES Flexibase

62819655

Analogs

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Popular Name: 2-(isopropylamino)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide 2-(isopropylamino)-N-[[(3R)-1-me…

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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)	2.81	6.71	-40.73	3	4	1	46	276.404	5	↓ MOL2 SDF SMILES Flexibase

62822606

Analogs

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Popular Name: 2-amino-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-4-fluoro-benzamide 2-amino-N-[[(3R)-1-ethylpyrrolid…

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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	5	-40.88	4	4	1	60	266.34	4	↓ MOL2 SDF SMILES Flexibase

62822607

Analogs

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Popular Name: 2-amino-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-4-fluoro-benzamide 2-amino-N-[[(3S)-1-ethylpyrrolid…

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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	5.03	-41.39	4	4	1	60	266.34	4	↓ MOL2 SDF SMILES Flexibase

62822608

Analogs

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Popular Name: 2-amino-4-fluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide 2-amino-4-fluoro-N-[[(3R)-1-meth…

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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	4.29	-42.02	4	4	1	60	252.313	3	↓ MOL2 SDF SMILES Flexibase

62822609

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Popular Name: 2-amino-4-fluoro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide 2-amino-4-fluoro-N-[[(3S)-1-meth…

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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	4.29	-42.29	4	4	1	60	252.313	3	↓ MOL2 SDF SMILES Flexibase

62822902

Analogs

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Popular Name: 2-amino-4-fluoro-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 2-amino-4-fluoro-N-[[(3R)-1-isop…

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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)	1.91	5.53	-40.06	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

62822903

Analogs

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Popular Name: 2-amino-4-fluoro-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]benzamide 2-amino-4-fluoro-N-[[(3S)-1-isop…

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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)	1.91	5.5	-40.35	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

66652466

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide 3-fluoro-4-methyl-N-[[(3S)-1-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)	2.20	6.69	-41.14	2	3	1	34	251.325	3	↓ MOL2 SDF SMILES Flexibase

66652467

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide 3-fluoro-4-methyl-N-[[(3R)-1-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)	2.20	6.7	-40.99	2	3	1	34	251.325	3	↓ MOL2 SDF SMILES Flexibase

63005690

Analogs

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Popular Name: 4-amino-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3,5-difluoro-benzamide 4-amino-N-[[(3R)-1-ethylpyrrolid…

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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)	1.71	4.8	-41.7	4	4	1	60	284.33	4	↓ MOL2 SDF SMILES Flexibase

63005691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3,5-difluoro-benzamide 4-amino-N-[[(3S)-1-ethylpyrrolid…

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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)	1.71	4.8	-42.01	4	4	1	60	284.33	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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