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ZINC Item

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52871837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)anilino]acetamide N-(1-cyanocyclohexyl)-N-methyl-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)	3.88	6.47	-15.85	1	5	0	65	355.36	6	↓ MOL2 SDF SMILES Flexibase

52874299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocyclohexyl)-N-methyl-2-(2,3,4-trifluoroanilino)acetamide N-(1-cyanocyclohexyl)-N-methyl-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)	3.25	6.89	-22.47	1	4	0	56	325.334	4	↓ MOL2 SDF SMILES Flexibase

52876625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyanoanilino)-N-methyl-N-(4-methylcyclohexyl)acetamide 2-(3-cyanoanilino)-N-methyl-N-(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)	2.55	8.05	-11.41	1	4	0	56	285.391	4	↓ MOL2 SDF SMILES Flexibase

52876777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocyclohexyl)-2-(2-fluoro-4-methyl-anilino)-N-methyl-acetamide N-(1-cyanocyclohexyl)-2-(2-fluor…

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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)	3.45	7.45	-18.11	1	4	0	56	303.381	4	↓ MOL2 SDF SMILES Flexibase

52891588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2,4-dimethoxy-anilino)-N-(4-methylcyclohexyl)acetamide 2-(5-chloro-2,4-dimethoxy-anilin…

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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)	3.73	5.56	-9.69	2	5	0	60	340.851	6	↓ MOL2 SDF SMILES Flexibase

52928308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-2-fluoro-anilino)-N-(1-cyanocyclohexyl)-N-methyl-acetamide 2-(3-chloro-2-fluoro-anilino)-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)	3.65	7.28	-20.08	1	4	0	56	323.799	4	↓ MOL2 SDF SMILES Flexibase

36109064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-methoxy-N-methylsulfonyl-anilino)-N-methyl-acetamide N-[(1R,2R)-2-hydroxycyclohexyl]-…

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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	2.49	-17.25	1	7	0	87	370.471	6	↓ MOL2 SDF SMILES Flexibase

36109066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-hydroxycyclohexyl]-2-(3-methoxy-N-methylsulfonyl-anilino)-N-methyl-acetamide N-[(1S,2R)-2-hydroxycyclohexyl]-…

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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	2.92	-14.16	1	7	0	87	370.471	6	↓ MOL2 SDF SMILES Flexibase

36109074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methoxy-N-methylsulfonyl-anilino)-N-methyl-acetamide N-[(1R,2R)-2-hydroxycyclohexyl]-…

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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)	1.58	2.46	-15.8	1	7	0	87	370.471	6	↓ MOL2 SDF SMILES Flexibase

36109076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-hydroxycyclohexyl]-2-(4-methoxy-N-methylsulfonyl-anilino)-N-methyl-acetamide N-[(1S,2R)-2-hydroxycyclohexyl]-…

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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)	1.58	2.87	-12.89	1	7	0	87	370.471	6	↓ MOL2 SDF SMILES Flexibase

36109100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethoxy-N-methylsulfonyl-anilino)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(2,4-dimethoxy-N-methylsulfony…

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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)	1.56	3.28	-14.13	1	8	0	96	400.497	7	↓ MOL2 SDF SMILES Flexibase

36109102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethoxy-N-methylsulfonyl-anilino)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(2,4-dimethoxy-N-methylsulfony…

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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)	1.56	3.73	-11.59	1	8	0	96	400.497	7	↓ MOL2 SDF SMILES Flexibase

36109108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethoxy-N-methylsulfonyl-anilino)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(2,5-dimethoxy-N-methylsulfony…

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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)	1.56	3.23	-14.5	1	8	0	96	400.497	7	↓ MOL2 SDF SMILES Flexibase

36109110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethoxy-N-methylsulfonyl-anilino)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(2,5-dimethoxy-N-methylsulfony…

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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)	1.56	3.67	-12.22	1	8	0	96	400.497	7	↓ MOL2 SDF SMILES Flexibase

36109117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(3,4-dimethoxy-N-methylsulfony…

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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	2.38	-17.3	1	8	0	96	400.497	7	↓ MOL2 SDF SMILES Flexibase

36109119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(3,4-dimethoxy-N-methylsulfony…

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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	2.77	-14.63	1	8	0	96	400.497	7	↓ MOL2 SDF SMILES Flexibase

36109125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(5-chloro-2-methoxy-N-methylsu…

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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	4.51	-12.8	1	7	0	87	404.916	6	↓ MOL2 SDF SMILES Flexibase

36109127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(5-chloro-2-methoxy-N-methylsu…

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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	4.95	-10.61	1	7	0	87	404.916	6	↓ MOL2 SDF SMILES Flexibase

36109151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(3-chloro-4-methoxy-N-methylsu…

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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	3.02	-14.88	1	7	0	87	404.916	6	↓ MOL2 SDF SMILES Flexibase

36109153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-(3-chloro-4-methoxy-N-methylsu…

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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	3.42	-12.47	1	7	0	87	404.916	6	↓ MOL2 SDF SMILES Flexibase

36116267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-methoxy-N-methylsulfonyl-anilino)-N-methyl-acetamide N-[(1R,2R)-2-hydroxycyclohexyl]-…

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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)	1.53	3.99	-13.46	1	7	0	87	370.471	6	↓ MOL2 SDF SMILES Flexibase

36116268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-hydroxycyclohexyl]-2-(2-methoxy-N-methylsulfonyl-anilino)-N-methyl-acetamide N-[(1S,2R)-2-hydroxycyclohexyl]-…

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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)	1.53	4.43	-10.98	1	7	0	87	370.471	6	↓ MOL2 SDF SMILES Flexibase

36116300

Analogs

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Popular Name: N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-methyl-acetamide N-[(1R,2R)-2-hydroxycyclohexyl]-…

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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)	1.47	4.65	-15.84	1	10	0	133	415.468	7	↓ MOL2 SDF SMILES Flexibase

36116302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-hydroxycyclohexyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-methyl-acetamide N-[(1S,2R)-2-hydroxycyclohexyl]-…

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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)	1.47	5.1	-14.15	1	10	0	133	415.468	7	↓ MOL2 SDF SMILES Flexibase

20245004

Analogs

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Popular Name: N-cyclohexyl-2-[dimethylsulfamoyl-(4-fluorophenyl)amino]acetamide N-cyclohexyl-2-[dimethylsulfamoy…

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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	5.08	-10.63	1	6	0	70	357.451	6	↓ MOL2 SDF SMILES Flexibase

20359262

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-[(2,3,4-trifluorophenyl)amino]propanamide (2R)-N-cyclohexyl-2-[(2,3,4-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)	4.15	6.19	-14.28	2	3	0	41	300.324	4	↓ MOL2 SDF SMILES Flexibase

20359263

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(2,3,4-trifluorophenyl)amino]propanamide (2S)-N-cyclohexyl-2-[(2,3,4-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)	4.15	6.19	-14.31	2	3	0	41	300.324	4	↓ MOL2 SDF SMILES Flexibase

20359331

Analogs

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Popular Name: (2R)-2-[(4-bromo-2-fluoro-phenyl)amino]-N-cyclohexyl-propanamide (2R)-2-[(4-bromo-2-fluoro-phenyl…

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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)	4.70	6.69	-10.44	2	3	0	41	343.24	4	↓ MOL2 SDF SMILES Flexibase

20359332

Analogs

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Popular Name: (2S)-2-[(4-bromo-2-fluoro-phenyl)amino]-N-cyclohexyl-propanamide (2S)-2-[(4-bromo-2-fluoro-phenyl…

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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)	4.70	6.69	-10.39	2	3	0	41	343.24	4	↓ MOL2 SDF SMILES Flexibase

20359453

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-[(2,6-difluorophenyl)amino]propanamide (2R)-N-cyclohexyl-2-[(2,6-difluo…

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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	5.96	-9.74	2	3	0	41	282.334	4	↓ MOL2 SDF SMILES Flexibase

20359454

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(2,6-difluorophenyl)amino]propanamide (2S)-N-cyclohexyl-2-[(2,6-difluo…

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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	6.06	-10.01	2	3	0	41	282.334	4	↓ MOL2 SDF SMILES Flexibase

20359548

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-[(3,4-difluorophenyl)amino]propanamide (2R)-N-cyclohexyl-2-[(3,4-difluo…

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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	6.1	-9.71	2	3	0	41	282.334	4	↓ MOL2 SDF SMILES Flexibase

20359550

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(3,4-difluorophenyl)amino]propanamide (2S)-N-cyclohexyl-2-[(3,4-difluo…

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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	6.1	-9.74	2	3	0	41	282.334	4	↓ MOL2 SDF SMILES Flexibase

20359920

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-[(2-fluoro-4-methyl-phenyl)amino]propanamide (2R)-N-cyclohexyl-2-[(2-fluoro-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)	4.34	6.72	-11.06	2	3	0	41	278.371	4	↓ MOL2 SDF SMILES Flexibase

20359922

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(2-fluoro-4-methyl-phenyl)amino]propanamide (2S)-N-cyclohexyl-2-[(2-fluoro-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)	4.34	6.72	-11.01	2	3	0	41	278.371	4	↓ MOL2 SDF SMILES Flexibase

20360115

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-[(2-fluoro-5-methyl-phenyl)amino]propanamide (2R)-N-cyclohexyl-2-[(2-fluoro-5…

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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)	4.34	6.72	-11.01	2	3	0	41	278.371	4	↓ MOL2 SDF SMILES Flexibase

20360117

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(2-fluoro-5-methyl-phenyl)amino]propanamide (2S)-N-cyclohexyl-2-[(2-fluoro-5…

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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)	4.34	6.73	-10.91	2	3	0	41	278.371	4	↓ MOL2 SDF SMILES Flexibase

20360636

Analogs

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Popular Name: N-cyclohexyl-2-[(2-iodophenyl)amino]acetamide N-cyclohexyl-2-[(2-iodophenyl)am…

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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)	4.34	6.45	-9.99	2	3	0	41	358.223	4	↓ MOL2 SDF SMILES Flexibase

20361198

Analogs

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Popular Name: N-cyclohexyl-2-[(2,6-difluorophenyl)amino]acetamide N-cyclohexyl-2-[(2,6-difluorophe…

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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	5.22	-9.44	2	3	0	41	268.307	4	↓ MOL2 SDF SMILES Flexibase

20361479

Analogs

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Popular Name: N-cyclohexyl-2-[(2-fluoro-5-methyl-phenyl)amino]acetamide N-cyclohexyl-2-[(2-fluoro-5-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)	3.85	6	-10.92	2	3	0	41	264.344	4	↓ MOL2 SDF SMILES Flexibase

20361643

Analogs

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Popular Name: 2-[(3-chloro-2-fluoro-phenyl)amino]-N-cyclohexyl-acetamide 2-[(3-chloro-2-fluoro-phenyl)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)	4.05	5.84	-12.46	2	3	0	41	284.762	4	↓ MOL2 SDF SMILES Flexibase

20362071

Analogs

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Popular Name: (2R)-N-cyclohexyl-2-[(3,5-difluorophenyl)amino]propanamide (2R)-N-cyclohexyl-2-[(3,5-difluo…

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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	6.14	-7.2	2	3	0	41	282.334	4	↓ MOL2 SDF SMILES Flexibase

20362072

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(3,5-difluorophenyl)amino]propanamide (2S)-N-cyclohexyl-2-[(3,5-difluo…

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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	6.14	-7.15	2	3	0	41	282.334	4	↓ MOL2 SDF SMILES Flexibase

36157760

Analogs

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Popular Name: 2-(2-cyano-3-fluoro-anilino)-N-cyclohexyl-acetamide 2-(2-cyano-3-fluoro-anilino)-N-c…

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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)	3.13	5.72	-17.18	2	4	0	65	275.327	4	↓ MOL2 SDF SMILES Flexibase

36158112

Analogs

36158117

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Popular Name: (2S)-2-(2-cyano-3-fluoro-anilino)-N-cyclohexyl-propanamide (2S)-2-(2-cyano-3-fluoro-anilino…

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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)	3.63	6.43	-16.72	2	4	0	65	289.354	4	↓ MOL2 SDF SMILES Flexibase

36158117

Analogs

36158112

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-cyano-3-fluoro-anilino)-N-cyclohexyl-propanamide (2R)-2-(2-cyano-3-fluoro-anilino…

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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)	3.63	6.43	-16.71	2	4	0	65	289.354	4	↓ MOL2 SDF SMILES Flexibase

22361668

Analogs

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Popular Name: 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-[(4-ethylphenyl)-methylsulfony…

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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	4.88	-13.96	1	6	0	78	368.499	6	↓ MOL2 SDF SMILES Flexibase

22361670

Analogs

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Popular Name: 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-[(4-ethylphenyl)-methylsulfony…

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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	4.79	-27.67	1	6	0	78	368.499	6	↓ MOL2 SDF SMILES Flexibase

22361863

Analogs

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Popular Name: 2-[(2,5-dichlorophenyl)-methylsulfonyl-amino]-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-[(2,5-dichlorophenyl)-methylsu…

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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	4.76	-11.82	1	6	0	78	409.335	5	↓ MOL2 SDF SMILES Flexibase

22361865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dichlorophenyl)-methylsulfonyl-amino]-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-acetamide 2-[(2,5-dichlorophenyl)-methylsu…

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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	4.2	-23.46	1	6	0	78	409.335	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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