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ZINC Item

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40334079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-aminophenoxy)-N-methyl-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)	0.56	5.11	-13.21	2	6	0	73	274.324	5	↓ MOL2 SDF SMILES Flexibase

40334118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-aminophenoxy)-N-methyl-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)	0.20	5.02	-14.63	2	6	0	73	274.324	5	↓ MOL2 SDF SMILES Flexibase

40334142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3-aminophenoxy)-N-methyl-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)	0.17	5.02	-14.71	2	6	0	73	274.324	5	↓ MOL2 SDF SMILES Flexibase

40335736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide 2-(2-aminophenoxy)-N-(1H-pyrazol…

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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)	0.24	1.64	-12.96	4	6	0	93	246.27	5	↓ MOL2 SDF SMILES Flexibase

40335767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide 2-(4-aminophenoxy)-N-(1H-pyrazol…

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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)	-0.11	1.54	-14.32	4	6	0	93	246.27	5	↓ MOL2 SDF SMILES Flexibase

40335776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide 2-(3-aminophenoxy)-N-(1H-pyrazol…

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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)	-0.14	1.55	-14.44	4	6	0	93	246.27	5	↓ MOL2 SDF SMILES Flexibase

53317665

Analogs

37986586

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-formyl-2-methoxy-phenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-formyl-2-methoxy-phenoxy)-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)	0.50	6.65	-19.53	0	7	0	74	317.345	7	↓ MOL2 SDF SMILES Flexibase

53319089

Analogs

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Popular Name: 2-(4-bromo-2-formyl-phenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-bromo-2-formyl-phenoxy)-N-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)	1.65	7.54	-16.88	0	6	0	64	366.215	6	↓ MOL2 SDF SMILES Flexibase

53323935

Analogs

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Popular Name: 2-(2-chloro-4-nitro-phenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-chloro-4-nitro-phenoxy)-N-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)	1.69	8.4	-18.3	0	8	0	93	338.751	6	↓ MOL2 SDF SMILES Flexibase

53327374

Analogs

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Popular Name: 2-(2-acetamidophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-acetamidophenoxy)-N-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)	0.29	6.15	-21.41	1	7	0	76	316.361	6	↓ MOL2 SDF SMILES Flexibase

53366893

Analogs

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Popular Name: 2-(5-fluoro-2-nitro-phenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(5-fluoro-2-nitro-phenoxy)-N-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)	1.17	8.42	-20.08	0	8	0	93	322.296	6	↓ MOL2 SDF SMILES Flexibase

53409402

Analogs

37983198
37983199
37986678
37990829
37999153

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3,5-dimethylphenoxy)-N-[(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)	1.70	6.32	-14.25	1	5	0	56	273.336	5	↓ MOL2 SDF SMILES Flexibase

53409403

Analogs

37986680

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-methoxyphenoxy)-N-[(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)	0.49	4.73	-17.58	1	6	0	65	275.308	6	↓ MOL2 SDF SMILES Flexibase

53409404

Analogs

37983198
37983199
37986583
37986678

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3,4-dimethylphenoxy)-N-[(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)	1.70	6.22	-14.4	1	5	0	56	273.336	5	↓ MOL2 SDF SMILES Flexibase

53409413

Analogs

37986708

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-bromo-2-chloro-phenoxy)-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)	2.29	6.14	-15.32	1	5	0	56	358.623	5	↓ MOL2 SDF SMILES Flexibase

53409490

Analogs

37983099
37983200

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3-fluorophenoxy)-N-[(1-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)	1.02	5.05	-15.84	1	5	0	56	263.272	5	↓ MOL2 SDF SMILES Flexibase

53409493

Analogs

37986633
37986674

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-bromophenoxy)-N-[(1-methylp…

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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)	1.68	5.61	-13.62	1	5	0	56	324.178	5	↓ MOL2 SDF SMILES Flexibase

53409497

Analogs

37983211
37986554
37986555

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Popular Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-chloro-2-methyl-phenoxy)-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)	1.93	6.21	-13.51	1	5	0	56	293.754	5	↓ MOL2 SDF SMILES Flexibase

53409521

Analogs

37986585

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-bromo-2-fluoro-phenoxy)-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)	1.78	5.67	-16.81	1	5	0	56	342.168	5	↓ MOL2 SDF SMILES Flexibase

53409525

Analogs

37983079
37983090
37983198
37983213
37986679

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2,5-dimethylphenoxy)-N-[(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)	1.70	6.37	-13.83	1	5	0	56	273.336	5	↓ MOL2 SDF SMILES Flexibase

53409639

Analogs

37983099
37983201
37986932

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-fluorophenoxy)-N-[(1-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)	0.99	5.05	-17.96	1	5	0	56	263.272	5	↓ MOL2 SDF SMILES Flexibase

53410071

Analogs

37983088
37986889
37986890

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-chloro-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-bromo-4-chloro-phenoxy)-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)	2.29	6.14	-15.23	1	5	0	56	358.623	5	↓ MOL2 SDF SMILES Flexibase

53410141

Analogs

37983065
37983079
37983090
37983103
37983213

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-methylphenoxy)-N-[(1-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)	1.28	5.7	-13.89	1	5	0	56	259.309	5	↓ MOL2 SDF SMILES Flexibase

53410917

Analogs

37983198

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyanophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3-cyanophenoxy)-N-[(1-methylp…

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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)	0.61	5.38	-18.14	1	6	0	80	270.292	5	↓ MOL2 SDF SMILES Flexibase

53450167

Analogs

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Popular Name: ethyl ethyl

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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	8.74	-19.54	0	7	0	74	331.372	8	↓ MOL2 SDF SMILES Flexibase

12009466

Analogs

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Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxy-acetamide N-[(1,3-dimethylpyrazol-4-yl)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)	1.10	-0.07	-14.16	1	5	0	56	259.309	5	↓ MOL2 SDF SMILES Flexibase

12009469

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide 2-(4-chlorophenoxy)-N-[(1,3-dime…

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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)	1.78	-0.22	-13.72	1	5	0	56	293.754	5	↓ MOL2 SDF SMILES Flexibase

53542394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(5-methyl-2-nitro-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide N-methyl-2-(5-methyl-2-nitro-phe…

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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)	1.46	9.01	-28.36	0	8	0	93	318.333	6	↓ MOL2 SDF SMILES Flexibase

53571623

Analogs

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Popular Name: N-methyl-2-(4-methyl-2-nitro-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide N-methyl-2-(4-methyl-2-nitro-phe…

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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)	1.46	9.02	-28.72	0	8	0	93	318.333	6	↓ MOL2 SDF SMILES Flexibase

58327290

Analogs

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Popular Name: (2R)-2-(3,4-difluorophenoxy)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (2R)-2-(3,4-difluorophenoxy)-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)	2.28	6.92	-13.4	1	5	0	56	323.343	5	↓ MOL2 SDF SMILES Flexibase

58327291

Analogs

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Popular Name: (2R)-2-(3,4-difluorophenoxy)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (2R)-2-(3,4-difluorophenoxy)-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)	2.28	6.88	-13.52	1	5	0	56	323.343	5	↓ MOL2 SDF SMILES Flexibase

58327294

Analogs

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Popular Name: (2S)-2-(3,4-difluorophenoxy)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (2S)-2-(3,4-difluorophenoxy)-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)	2.28	6.92	-15.93	1	5	0	56	323.343	5	↓ MOL2 SDF SMILES Flexibase

58327298

Analogs

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Popular Name: (2S)-2-(3,4-difluorophenoxy)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (2S)-2-(3,4-difluorophenoxy)-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)	2.28	6.88	-16.01	1	5	0	56	323.343	5	↓ MOL2 SDF SMILES Flexibase

55060488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide N-[(1-ethyl-5-methyl-pyrazol-4-y…

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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)	2.92	10.26	-10.91	0	5	0	47	329.444	6	↓ MOL2 SDF SMILES Flexibase

55099193

Analogs

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Popular Name: 2-(3-chlorophenoxy)-N-isobutyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3-chlorophenoxy)-N-isobutyl-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)	2.90	9.87	-13.47	0	5	0	47	335.835	7	↓ MOL2 SDF SMILES Flexibase

55099298

Analogs

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Popular Name: N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide N-[(1S)-1-(3,5-dimethyl-1H-pyraz…

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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)	3.26	9.75	-12.31	1	5	0	58	329.444	5	↓ MOL2 SDF SMILES Flexibase

55099299

Analogs

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Popular Name: N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide N-[(1R)-1-(3,5-dimethyl-1H-pyraz…

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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)	3.26	9.74	-12.53	1	5	0	58	329.444	5	↓ MOL2 SDF SMILES Flexibase

55099483

Analogs

25046279
37983079

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide N-(2-methoxyethyl)-N-[(1-methylp…

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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	9.27	-16.31	0	6	0	57	345.443	8	↓ MOL2 SDF SMILES Flexibase

55430112

Analogs

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Popular Name: 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxo-ethoxy]benzamide 2-[2-[methyl-[(1-methylpyrazol-4…

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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)	0.44	4.94	-24.63	2	7	0	90	302.334	6	↓ MOL2 SDF SMILES Flexibase

65527943

Analogs

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Popular Name: N-[4-[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]-2-oxo-ethoxy]phenyl]propanamide N-[4-[2-[(1-ethylpyrazol-4-yl)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)	1.55	7.72	-21.87	1	7	0	76	344.415	8	↓ MOL2 SDF SMILES Flexibase

67458946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[2-(3-methylphenoxy)acetyl]amino]acetic (2S)-2-(3,5-dimethyl-1H-pyrazol-…

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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)	1.10	6.51	-59.4	2	7	-1	107	316.337	6	↓ MOL2 SDF SMILES Flexibase

67458949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[2-(3-methylphenoxy)acetyl]amino]acetic (2R)-2-(3,5-dimethyl-1H-pyrazol-…

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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)	1.10	6.48	-58.03	2	7	-1	107	316.337	6	↓ MOL2 SDF SMILES Flexibase

48944376

Analogs

37983197
37983308
37986629

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Popular Name: 2-(2-chlorophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-chlorophenoxy)-N-[(1-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)	1.51	5.52	-16.07	1	5	0	56	279.727	5	↓ MOL2 SDF SMILES Flexibase

48944380

Analogs

37983218
37986583
37986734

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Popular Name: 2-(4-ethylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-ethylphenoxy)-N-[(1-methylp…

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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)	1.79	6.43	-13.85	1	5	0	56	273.336	6	↓ MOL2 SDF SMILES Flexibase

48944382

Analogs

37983071
37983158
37983195

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Popular Name: 2-(4-methoxyphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-methoxyphenoxy)-N-[(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)	0.93	4.27	-14.96	1	6	0	65	275.308	6	↓ MOL2 SDF SMILES Flexibase

48944405

Analogs

37986588

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(2-bromo-4-fluoro-phenoxy)-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)	1.78	5.69	-15.75	1	5	0	56	342.168	5	↓ MOL2 SDF SMILES Flexibase

48944407

Analogs

37983217
37983218
37986583
37986678

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-methylphenoxy)-N-[(1-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)	1.33	5.66	-14.06	1	5	0	56	259.309	5	↓ MOL2 SDF SMILES Flexibase

48944440

Analogs

37983229
37986663
37986927
37999142

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(3,4-dichlorophenoxy)-N-[(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)	2.16	5.96	-15.06	1	5	0	56	314.172	5	↓ MOL2 SDF SMILES Flexibase

48944442

Analogs

37983095
37983096

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (2S)-2-(4-bromophenoxy)-N-[(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)	2.05	6.19	-13.23	1	5	0	56	338.205	5	↓ MOL2 SDF SMILES Flexibase

48944444

Analogs

37983095
37983096

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (2R)-2-(4-bromophenoxy)-N-[(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)	2.05	6.19	-13.11	1	5	0	56	338.205	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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