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ZINC Item

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69227552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanoethyl)-2-[cyclopentylmethyl(methyl)amino]-N-(4-fluorophenyl)propanamide (2S)-N-(2-cyanoethyl)-2-[cyclope…

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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)	3.12	11.15	-50.09	1	4	1	49	332.443	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.12	8.77	-11.24	0	4	0	47	331.435	7	↓ MOL2 SDF SMILES Flexibase

69227553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanoethyl)-2-[cyclopentylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide (2S)-N-(2-cyanoethyl)-2-[cyclope…

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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)	2.97	11.12	-38.35	1	5	1	58	344.479	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.97	8.66	-9	0	5	0	57	343.471	8	↓ MOL2 SDF SMILES Flexibase

69227588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[cyclopentylmethyl(methyl)amino]-N-(2,3,4,5,6-pentafluorophenyl)propanamide (2S)-2-[cyclopentylmethyl(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)	3.79	8.72	-41.72	2	3	1	34	351.339	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.98	6.95	-25.95	1	3	0	40	350.331	5	↓ MOL2 SDF SMILES Flexibase

69227607

Analogs

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Popular Name: methyl 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)	3.81	10.19	-43.82	2	5	1	60	333.452	7	↓ MOL2 SDF SMILES Flexibase

69227626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R)-2-[cyclopentylmethyl(methyl)amino]propanoyl]amino]-N,N-diethyl-benzamide 3-[[(2R)-2-[cyclopentylmethyl(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)	2.95	10.13	-45.45	2	5	1	54	360.522	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.14	8.35	-34.94	1	5	0	60	359.514	8	↓ MOL2 SDF SMILES Flexibase

69227641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[cyclopentylmethyl(methyl)amino]-N-(2-methyl-3-nitro-phenyl)propanamide (2S)-2-[cyclopentylmethyl(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)	3.57	10.15	-46.62	2	6	1	79	320.413	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.76	8.5	-29.67	1	6	0	86	319.405	6	↓ MOL2 SDF SMILES Flexibase

69227642

Analogs

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Popular Name: (2S)-2-[cyclopentylmethyl(methyl)amino]-N-(2,3-dimethylphenyl)propanamide (2S)-2-[cyclopentylmethyl(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)	4.06	10.02	-39.14	2	3	1	34	289.443	5	↓ MOL2 SDF SMILES Flexibase

69227676

Analogs

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Popular Name: (2S)-N-(2-acetylphenyl)-2-[cyclopentylmethyl(methyl)amino]propanamide (2S)-N-(2-acetylphenyl)-2-[cyclo…

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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)	3.11	9.29	-34.27	2	4	1	51	303.426	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.29	7.7	-31.91	1	4	0	57	302.418	6	↓ MOL2 SDF SMILES Flexibase

69227754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanophenyl)-2-[cyclopentylmethyl(methyl)amino]propanamide (2S)-N-(2-cyanophenyl)-2-[cyclop…

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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)	2.97	8.85	-37.74	2	4	1	57	286.399	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	7.14	-27.6	1	4	0	64	285.391	5	↓ MOL2 SDF SMILES Flexibase

69227770

Analogs

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Popular Name: (2S)-N-(4-acetylphenyl)-2-[cyclopentylmethyl(methyl)amino]propanamide (2S)-N-(4-acetylphenyl)-2-[cyclo…

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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)	3.16	9.17	-44.64	2	4	1	51	303.426	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.34	7.46	-35.83	1	4	0	57	302.418	6	↓ MOL2 SDF SMILES Flexibase

70306513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(5-chloro-2-methyl-phenyl)-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)	4.44	8.29	-44.76	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

70306514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(5-chloro-2-methyl-phenyl)-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)	4.44	8.15	-45.04	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

70306637

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(2-bromophenyl)-2-[[(1S)-1-cyc…

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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)	4.14	7.51	-40.99	3	3	1	46	326.258	5	↓ MOL2 SDF SMILES Flexibase

70306638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromophenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(2-bromophenyl)-2-[[(1R)-1-cyc…

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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)	4.14	7.5	-40.79	3	3	1	46	326.258	5	↓ MOL2 SDF SMILES Flexibase

70306639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(2-methoxyphenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.39	6.2	-41.08	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

70306640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methoxyphenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.39	6.16	-40.85	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

70306669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(p-tolyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.83	7.47	-42.65	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(p-tolyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.83	7.41	-42.72	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(2,6-dichlorophenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	4.64	7.86	-39.38	3	3	1	46	316.252	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.46	6.59	-28.79	2	3	0	52	315.244	5	↓ MOL2 SDF SMILES Flexibase

70306680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,6-dichlorophenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	4.64	8.12	-39.79	3	3	1	46	316.252	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.46	6.53	-28.89	2	3	0	52	315.244	5	↓ MOL2 SDF SMILES Flexibase

70306751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-phenyl-acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.38	6.77	-42.64	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

70306752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-phenyl-acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.38	6.74	-42.71	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

70306753

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(3-chlorophenyl)-2-[[(1S)-1-cy…

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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)	4.04	7.29	-44.82	3	3	1	46	281.807	5	↓ MOL2 SDF SMILES Flexibase

70306754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(3-chlorophenyl)-2-[[(1R)-1-cy…

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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)	4.04	7.27	-45.03	3	3	1	46	281.807	5	↓ MOL2 SDF SMILES Flexibase

70306909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(4-methoxyphenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.44	6.06	-44.8	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

70306910

Analogs

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Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(4-methoxyphenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.44	6.04	-44.92	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

70306911

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(2-chlorophenyl)-2-[[(1S)-1-cy…

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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)	4.01	7.38	-41.1	3	3	1	46	281.807	5	↓ MOL2 SDF SMILES Flexibase

70306912

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(2-chlorophenyl)-2-[[(1R)-1-cy…

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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)	4.01	7.37	-40.92	3	3	1	46	281.807	5	↓ MOL2 SDF SMILES Flexibase

70306913

Analogs

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Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(4-fluorophenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.54	6.84	-46.03	3	3	1	46	265.352	5	↓ MOL2 SDF SMILES Flexibase

70306914

Analogs

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Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(4-fluorophenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.54	6.8	-46.07	3	3	1	46	265.352	5	↓ MOL2 SDF SMILES Flexibase

70306915

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(4-bromophenyl)-2-[[(1S)-1-cyc…

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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)	4.19	7.39	-45.26	3	3	1	46	326.258	5	↓ MOL2 SDF SMILES Flexibase

70306916

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(4-bromophenyl)-2-[[(1R)-1-cyc…

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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)	4.19	7.36	-45.32	3	3	1	46	326.258	5	↓ MOL2 SDF SMILES Flexibase

70306917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(4-chlorophenyl)-2-[[(1S)-1-cy…

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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)	4.06	7.29	-45.17	3	3	1	46	281.807	5	↓ MOL2 SDF SMILES Flexibase

70306918

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(4-chlorophenyl)-2-[[(1R)-1-cy…

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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)	4.06	7.26	-45.19	3	3	1	46	281.807	5	↓ MOL2 SDF SMILES Flexibase

70306919

Analogs

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Popular Name: N-(3-bromophenyl)-2-[[(1S)-1-cyclopentylethyl]amino]acetamide N-(3-bromophenyl)-2-[[(1S)-1-cyc…

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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)	4.17	7.39	-44.82	3	3	1	46	326.258	5	↓ MOL2 SDF SMILES Flexibase

70306920

Analogs

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Popular Name: N-(3-bromophenyl)-2-[[(1R)-1-cyclopentylethyl]amino]acetamide N-(3-bromophenyl)-2-[[(1R)-1-cyc…

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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)	4.17	7.37	-44.97	3	3	1	46	326.258	5	↓ MOL2 SDF SMILES Flexibase

70306983

Analogs

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Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(2-fluorophenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.50	6.89	-41.66	3	3	1	46	265.352	5	↓ MOL2 SDF SMILES Flexibase

70306984

Analogs

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Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-fluorophenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.50	6.84	-41.41	3	3	1	46	265.352	5	↓ MOL2 SDF SMILES Flexibase

70306985

Analogs

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Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxyphenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.41	6.07	-44.69	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

70306986

Analogs

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Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxyphenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.41	6.04	-44.96	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

70306987

Analogs

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Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(m-tolyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.81	7.47	-42.71	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306988

Analogs

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Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(m-tolyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.81	7.41	-42.76	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306995

Analogs

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Popular Name: (2S)-2-[[(1S)-1-cyclopentylethyl]amino]-N-phenyl-propanamide (2S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.34	7.3	-38.57	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306996

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclopentylethyl]amino]-N-phenyl-propanamide (2S)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.34	7.23	-39.32	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclopentylethyl]amino]-N-phenyl-propanamide (2R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.34	7.25	-39.61	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70306998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclopentylethyl]amino]-N-phenyl-propanamide (2R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.34	7.24	-38.6	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

70307003

Analogs

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Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(2,6-difluorophenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.61	6.97	-40.7	3	3	1	46	283.342	5	↓ MOL2 SDF SMILES Flexibase

70307004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,6-difluorophenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.61	6.98	-40.89	3	3	1	46	283.342	5	↓ MOL2 SDF SMILES Flexibase

70307051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-fluorophenyl)acetamide 2-[[(1S)-1-cyclopentylethyl]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)	3.52	6.84	-45.9	3	3	1	46	265.352	5	↓ MOL2 SDF SMILES Flexibase

70307052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-fluorophenyl)acetamide 2-[[(1R)-1-cyclopentylethyl]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)	3.52	6.81	-46.12	3	3	1	46	265.352	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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