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ZINC Item

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36137170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3-pyrrolidin-1-ylpropyl)benzamide 2-amino-N-(3-pyrrolidin-1-ylprop…

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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)	1.27	5.05	-40.65	4	4	1	60	248.35	5	↓ MOL2 SDF SMILES Flexibase

36137631

Analogs

37791926
44692921
44692923

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-pyrrolidin-1-ylpropylcarbamoyl)benzoic 2-(3-pyrrolidin-1-ylpropylcarbam…

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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)	1.36	8.11	-78.41	2	5	0	74	276.336	6	↓ MOL2 SDF SMILES Flexibase

54416321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-nitro-N-(3-pyrrolidin-1-ylpropyl)benzamide 3-fluoro-4-nitro-N-(3-pyrrolidin…

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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)	1.88	7.59	-47.8	2	6	1	79	296.322	6	↓ MOL2 SDF SMILES Flexibase

13668807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-nitro-N-(3-pyrrolidin-1-ylpropyl)benzamide 2-methyl-3-nitro-N-(3-pyrrolidin…

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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)	2.15	7.99	-51.64	2	6	1	79	292.359	6	↓ MOL2 SDF SMILES Flexibase

13669198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide 3-allyl-4-methoxy-N-(3-pyrrolidi…

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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	8.18	-44.63	2	4	1	43	303.426	8	↓ MOL2 SDF SMILES Flexibase

13672508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methanesulfonamido-N-(3-pyrrolidin-1-ylpropyl)benzamide 3-methanesulfonamido-N-(3-pyrrol…

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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)	1.04	3.42	-56.08	3	6	1	80	326.442	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.04	3.49	-75.13	2	6	0	82	325.434	7	↓ MOL2 SDF SMILES Flexibase

13673099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-nitro-N-(3-pyrrolidin-1-ylpropyl)benzamide 4-methyl-3-nitro-N-(3-pyrrolidin…

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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	8	-53.52	2	6	1	79	292.359	6	↓ MOL2 SDF SMILES Flexibase

13673697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide 2-methoxy-N-(3-pyrrolidin-1-ylpr…

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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	7.37	-45.04	2	4	1	43	263.361	6	↓ MOL2 SDF SMILES Flexibase

13673701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methanesulfonamido-N-(3-pyrrolidin-1-ylpropyl)benzamide 4-methanesulfonamido-N-(3-pyrrol…

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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)	1.07	3.53	-48.92	3	6	1	80	326.442	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.07	3.61	-61.85	2	6	0	82	325.434	7	↓ MOL2 SDF SMILES Flexibase

13675080

Analogs

37860246

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide 4-methyl-N-(3-pyrrolidin-1-ylpro…

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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)	2.28	7.49	-42.78	2	3	1	34	247.362	5	↓ MOL2 SDF SMILES Flexibase

62819593

Analogs

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Popular Name: 2-(isopropylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide 2-(isopropylamino)-N-(3-pyrrolid…

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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)	2.98	7.57	-40.42	3	4	1	46	290.431	7	↓ MOL2 SDF SMILES Flexibase

62822540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide 2-amino-4-fluoro-N-(3-pyrrolidin…

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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	5.12	-42.19	4	4	1	60	266.34	5	↓ MOL2 SDF SMILES Flexibase

63007366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 4-amino-3,5-difluoro-N-[(2S)-2-m…

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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)	1.98	5.69	-41.65	4	4	1	60	298.357	5	↓ MOL2 SDF SMILES Flexibase

63007367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 4-amino-3,5-difluoro-N-[(2R)-2-m…

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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)	1.98	5.67	-39.94	4	4	1	60	298.357	5	↓ MOL2 SDF SMILES Flexibase

63007368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3,5-difluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide 4-amino-3,5-difluoro-N-(3-pyrrol…

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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)	1.50	4.92	-42.88	4	4	1	60	284.33	5	↓ MOL2 SDF SMILES Flexibase

63007369

Analogs

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Popular Name: 3,5-difluoro-4-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide 3,5-difluoro-4-(methylamino)-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)	1.88	5.73	-42.86	3	4	1	46	298.357	6	↓ MOL2 SDF SMILES Flexibase

63008131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-4-hydrazino-N-(3-pyrrolidin-1-ylpropyl)benzamide 3,5-difluoro-4-hydrazino-N-(3-py…

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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	4.73	-43.84	5	5	1	72	299.345	6	↓ MOL2 SDF SMILES Flexibase

63010859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide 3,4,5-trifluoro-N-(3-pyrrolidin-…

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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)	2.18	7.04	-45.25	2	3	1	34	287.305	5	↓ MOL2 SDF SMILES Flexibase

63011913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 3,4,5-trifluoro-N-[(2S)-2-methyl…

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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)	2.66	7.81	-43.97	2	3	1	34	301.332	5	↓ MOL2 SDF SMILES Flexibase

63011914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 3,4,5-trifluoro-N-[(2R)-2-methyl…

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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)	2.66	7.79	-42.73	2	3	1	34	301.332	5	↓ MOL2 SDF SMILES Flexibase

69456920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-[(2-methoxybenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[(2-methoxybenzoyl)ami…

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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)	1.29	7.48	-47	2	6	1	63	334.44	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	5.25	-18.97	1	6	0	62	333.432	7	↓ MOL2 SDF SMILES Flexibase

69456923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[(2-methoxybenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[(2-methoxybenzoyl)ami…

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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)	1.29	7.34	-46.56	2	6	1	63	334.44	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	5.4	-18.84	1	6	0	62	333.432	7	↓ MOL2 SDF SMILES Flexibase

69457045

Analogs

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Popular Name: (2S)-1-[3-[(4-methoxybenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[(4-methoxybenzoyl)ami…

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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	6.21	-45.61	2	6	1	63	334.44	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.79	4.03	-15.85	1	6	0	62	333.432	7	↓ MOL2 SDF SMILES Flexibase

69457048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[(4-methoxybenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[(4-methoxybenzoyl)ami…

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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	5.83	-49.03	2	6	1	63	334.44	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.79	3.6	-15.36	1	6	0	62	333.432	7	↓ MOL2 SDF SMILES Flexibase

69457188

Analogs

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Popular Name: (2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[(2-fluorobenzoyl)amin…

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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)	0.85	7	-48.93	2	5	1	54	322.404	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.85	4.79	-19.24	1	5	0	53	321.396	6	↓ MOL2 SDF SMILES Flexibase

69457191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[(2-fluorobenzoyl)amin…

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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)	0.85	6.86	-48.38	2	5	1	54	322.404	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.85	4.93	-19.22	1	5	0	53	321.396	6	↓ MOL2 SDF SMILES Flexibase

69462133

Analogs

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Popular Name: (2S)-1-[3-[[2-(methoxymethyl)benzoyl]amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[[2-(methoxymethyl)ben…

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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	6.85	-45.53	2	6	1	63	348.467	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.64	4.64	-15.49	1	6	0	62	347.459	8	↓ MOL2 SDF SMILES Flexibase

69462136

Analogs

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Popular Name: (2R)-1-[3-[[2-(methoxymethyl)benzoyl]amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[[2-(methoxymethyl)ben…

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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	6.82	-45.67	2	6	1	63	348.467	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.64	4.82	-15.25	1	6	0	62	347.459	8	↓ MOL2 SDF SMILES Flexibase

69485142

Analogs

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Popular Name: (2S)-1-[3-[(3,5-difluorobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[(3,5-difluorobenzoyl)…

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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	7.06	-45.21	2	5	1	54	340.394	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.99	4.85	-13.75	1	5	0	53	339.386	6	↓ MOL2 SDF SMILES Flexibase

69485145

Analogs

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Popular Name: (2R)-1-[3-[(3,5-difluorobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[(3,5-difluorobenzoyl)…

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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	6.67	-48.13	2	5	1	54	340.394	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.99	4.41	-12.97	1	5	0	53	339.386	6	↓ MOL2 SDF SMILES Flexibase

69491090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-[[3-(methoxymethyl)benzoyl]amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[[3-(methoxymethyl)ben…

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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)	0.66	6.65	-46.75	2	6	1	63	348.467	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	4.44	-17.22	1	6	0	62	347.459	8	↓ MOL2 SDF SMILES Flexibase

69491092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[[3-(methoxymethyl)benzoyl]amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[[3-(methoxymethyl)ben…

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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)	0.66	6.26	-50.21	2	6	1	63	348.467	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	4	-17.06	1	6	0	62	347.459	8	↓ MOL2 SDF SMILES Flexibase

69513081

Analogs

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Popular Name: (2S)-1-[3-[(2-chlorobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[(2-chlorobenzoyl)amin…

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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)	1.36	7.44	-46.22	2	5	1	54	338.859	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	5.23	-16.73	1	5	0	53	337.851	6	↓ MOL2 SDF SMILES Flexibase

69513083

Analogs

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Popular Name: (2R)-1-[3-[(2-chlorobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[(2-chlorobenzoyl)amin…

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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)	1.36	7.3	-45.85	2	5	1	54	338.859	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	5.36	-16.73	1	5	0	53	337.851	6	↓ MOL2 SDF SMILES Flexibase

69560553

Analogs

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Popular Name: (2S)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[3-[(3-cyanobenzoyl)amino…

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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)	0.46	7.29	-51.57	2	6	1	78	329.424	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.46	5.09	-19.52	1	6	0	76	328.416	6	↓ MOL2 SDF SMILES Flexibase

69560555

Analogs

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Popular Name: (2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[3-[(3-cyanobenzoyl)amino…

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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)	0.46	6.91	-55.56	2	6	1	78	329.424	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.46	4.65	-19.56	1	6	0	76	328.416	6	↓ MOL2 SDF SMILES Flexibase

55042021

Analogs

37860246

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Popular Name: 4-[(dipropylamino)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide 4-[(dipropylamino)methyl]-N-(3-p…

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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)	3.40	11.63	-88.62	3	4	2	38	347.547	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.40	9.48	-42.35	2	4	1	37	346.539	11	↓ MOL2 SDF SMILES Flexibase

55538337

Analogs

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Popular Name: 3-cyano-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 3-cyano-N-[(2S)-2-methyl-3-pyrro…

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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)	2.04	8.01	-48.02	2	4	1	57	272.372	5	↓ MOL2 SDF SMILES Flexibase

55538338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 3-cyano-N-[(2R)-2-methyl-3-pyrro…

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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)	2.04	7.99	-45.82	2	4	1	57	272.372	5	↓ MOL2 SDF SMILES Flexibase

55538339

Analogs

43416799

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Popular Name: 2-hydroxy-4-methoxy-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 2-hydroxy-4-methoxy-N-[(2S)-2-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)	2.83	5.48	-45.29	3	5	1	63	293.387	6	↓ MOL2 SDF SMILES Flexibase

55538340

Analogs

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Popular Name: 2-hydroxy-4-methoxy-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 2-hydroxy-4-methoxy-N-[(2R)-2-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)	2.83	5.47	-42.59	3	5	1	63	293.387	6	↓ MOL2 SDF SMILES Flexibase

55538390

Analogs

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Popular Name: 2-bromo-5-methoxy-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 2-bromo-5-methoxy-N-[(2S)-2-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)	3.10	7.55	-40.56	2	4	1	43	356.284	6	↓ MOL2 SDF SMILES Flexibase

55538391

Analogs

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Popular Name: 2-bromo-5-methoxy-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 2-bromo-5-methoxy-N-[(2R)-2-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)	3.10	7.52	-38.65	2	4	1	43	356.284	6	↓ MOL2 SDF SMILES Flexibase

55538669

Analogs

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Popular Name: 4-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 4-fluoro-N-[(2S)-2-methyl-3-pyrr…

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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)	2.47	7.69	-42.24	2	3	1	34	265.352	5	↓ MOL2 SDF SMILES Flexibase

55538670

Analogs

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Popular Name: 4-fluoro-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 4-fluoro-N-[(2R)-2-methyl-3-pyrr…

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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)	2.47	7.67	-40.41	2	3	1	34	265.352	5	↓ MOL2 SDF SMILES Flexibase

55538757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 2-fluoro-N-[(2S)-2-methyl-3-pyrr…

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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)	2.42	7.7	-45.35	2	3	1	34	265.352	5	↓ MOL2 SDF SMILES Flexibase

55538758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 2-fluoro-N-[(2R)-2-methyl-3-pyrr…

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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)	2.42	7.68	-42.75	2	3	1	34	265.352	5	↓ MOL2 SDF SMILES Flexibase

55538759

Analogs

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Popular Name: 3,4-dichloro-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 3,4-dichloro-N-[(2S)-2-methyl-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)	3.59	8.59	-44.3	2	3	1	34	316.252	5	↓ MOL2 SDF SMILES Flexibase

55538760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide 3,4-dichloro-N-[(2R)-2-methyl-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)	3.59	8.57	-42.34	2	3	1	34	316.252	5	↓ MOL2 SDF SMILES Flexibase

55538765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzamide N-[(2S)-2-methyl-3-pyrrolidin-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)	2.31	7.62	-41.31	2	3	1	34	247.362	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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