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38739212

Analogs

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Popular Name: N-[4-[2-(4-methylsulfanylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-methylsulfanylanilino…

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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	8.14	-16.42	2	5	0	71	375.519	6	↓ MOL2 SDF SMILES Flexibase

38739263

Analogs

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Popular Name: N-[4-[2-(4-chloroanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-chloroanilino)-2-oxo-…

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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	7.64	-15.78	2	5	0	71	363.87	5	↓ MOL2 SDF SMILES Flexibase

38739265

Analogs

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Popular Name: N-[4-[2-(3-bromoanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-bromoanilino)-2-oxo-e…

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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)	3.96	7.74	-14.58	2	5	0	71	408.321	5	↓ MOL2 SDF SMILES Flexibase

38739267

Analogs

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Popular Name: N-[4-[2-(4-bromoanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-bromoanilino)-2-oxo-e…

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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)	3.98	7.74	-15.72	2	5	0	71	408.321	5	↓ MOL2 SDF SMILES Flexibase

38739269

Analogs

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Popular Name: N-[4-[2-(3-methoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-methoxyanilino)-2-oxo…

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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)	3.21	6.41	-16.36	2	6	0	80	359.451	6	↓ MOL2 SDF SMILES Flexibase

38739270

Analogs

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Popular Name: N-[4-[2-(4-methoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-methoxyanilino)-2-oxo…

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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)	3.23	6.41	-16.95	2	6	0	80	359.451	6	↓ MOL2 SDF SMILES Flexibase

38739272

Analogs

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Popular Name: N-[4-[2-(2-ethoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2-ethoxyanilino)-2-oxo-…

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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)	3.56	7.48	-15.14	2	6	0	80	373.478	7	↓ MOL2 SDF SMILES Flexibase

38739274

Analogs

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Popular Name: N-[4-[2-(4-ethoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-ethoxyanilino)-2-oxo-…

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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	7.34	-16.82	2	6	0	80	373.478	7	↓ MOL2 SDF SMILES Flexibase

38739276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2-methylsulfanylanilino…

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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)	3.56	8.26	-14.99	2	5	0	71	375.519	6	↓ MOL2 SDF SMILES Flexibase

38739277

Analogs

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Popular Name: N-[4-[2-(4-acetylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-acetylanilino)-2-oxo-…

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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)	3.07	7.61	-18.53	2	6	0	88	371.462	6	↓ MOL2 SDF SMILES Flexibase

38739278

Analogs

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Popular Name: N-[4-[2-(3-acetylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-acetylanilino)-2-oxo-…

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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)	3.05	7.61	-24.91	2	6	0	88	371.462	6	↓ MOL2 SDF SMILES Flexibase

38739279

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)	3.72	8.7	-18.28	2	7	0	97	401.488	8	↓ MOL2 SDF SMILES Flexibase

38739280

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)	3.35	7.78	-18.47	2	7	0	97	387.461	7	↓ MOL2 SDF SMILES Flexibase

38739281

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)	3.48	8.12	-15.09	2	7	0	97	387.461	7	↓ MOL2 SDF SMILES Flexibase

38739282

Analogs

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Popular Name: butyl butyl

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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)	4.78	10.29	-17.95	2	7	0	97	429.542	10	↓ MOL2 SDF SMILES Flexibase

38739287

Analogs

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Popular Name: N-[4-[2-(3,4-dichloroanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3,4-dichloroanilino)-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)	4.46	8.09	-14.81	2	5	0	71	398.315	5	↓ MOL2 SDF SMILES Flexibase

38739288

Analogs

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Popular Name: N-[4-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-chloro-4-fluoro-anili…

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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)	3.94	7.68	-15.29	2	5	0	71	381.86	5	↓ MOL2 SDF SMILES Flexibase

38739289

Analogs

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Popular Name: N-[4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2,3-dimethylanilino)-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)	3.98	8.53	-16.23	2	5	0	71	357.479	5	↓ MOL2 SDF SMILES Flexibase

38739290

Analogs

38739307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(2,4-dimethylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2,4-dimethylanilino)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.68	-16.08	2	5	0	71	357.479	5	↓ MOL2 SDF SMILES Flexibase

38739291

Analogs

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Popular Name: N-[4-[2-(2,5-dimethylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2,5-dimethylanilino)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.64	-16.17	2	5	0	71	357.479	5	↓ MOL2 SDF SMILES Flexibase

38739292

Analogs

698988

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Popular Name: N-[4-[2-(3,4-dimethylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3,4-dimethylanilino)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.35	-16.27	2	5	0	71	357.479	5	↓ MOL2 SDF SMILES Flexibase

38739293

Analogs

38740432

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Popular Name: N-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2,6-dimethylanilino)-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)	3.04	8.64	-15.27	2	5	0	71	357.479	5	↓ MOL2 SDF SMILES Flexibase

38739294

Analogs

38740434

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3,5-dimethylanilino)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.46	-16.16	2	5	0	71	357.479	5	↓ MOL2 SDF SMILES Flexibase

38739295

Analogs

38739424

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Popular Name: N-[4-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3,4-dimethoxyanilino)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	6.33	-18.91	2	7	0	90	389.477	7	↓ MOL2 SDF SMILES Flexibase

38739296

Analogs

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Popular Name: N-[4-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2,4-dimethoxyanilino)-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)	3.22	5.84	-15.96	2	7	0	90	389.477	7	↓ MOL2 SDF SMILES Flexibase

38739297

Analogs

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Popular Name: N-[4-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2,5-dimethoxyanilino)-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)	3.22	5.83	-18.28	2	7	0	90	389.477	7	↓ MOL2 SDF SMILES Flexibase

38739298

Analogs

38739300

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Popular Name: N-[4-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-chloro-2-methyl-anili…

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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)	4.21	8.41	-14.8	2	5	0	71	377.897	5	↓ MOL2 SDF SMILES Flexibase

38739300

Analogs

38739298

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Popular Name: N-[4-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(5-chloro-2-methyl-anili…

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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)	4.23	8.54	-17.01	2	5	0	71	377.897	5	↓ MOL2 SDF SMILES Flexibase

38739302

Analogs

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Popular Name: N-[4-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-chloro-4-methyl-anili…

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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)	4.23	8.22	-14.78	2	5	0	71	377.897	5	↓ MOL2 SDF SMILES Flexibase

38739304

Analogs

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Popular Name: N-[4-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-fluoro-4-methyl-anili…

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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)	3.72	7.82	-15.15	2	5	0	71	361.442	5	↓ MOL2 SDF SMILES Flexibase

38739305

Analogs

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Popular Name: N-[4-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-bromo-2-methyl-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)	4.36	8.63	-15.49	2	5	0	71	422.348	5	↓ MOL2 SDF SMILES Flexibase

38739306

Analogs

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Popular Name: N-[4-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2-methoxy-5-methyl-anil…

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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	7.22	-15.67	2	6	0	80	373.478	6	↓ MOL2 SDF SMILES Flexibase

38739307

Analogs

38739290

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Popular Name: N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-oxo-2-(2,4,6-trimethylan…

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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	9.37	-15.3	2	5	0	71	371.506	5	↓ MOL2 SDF SMILES Flexibase

38739308

Analogs

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Popular Name: N-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-bromo-3-methyl-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)	4.36	8.31	-15.69	2	5	0	71	422.348	5	↓ MOL2 SDF SMILES Flexibase

38739318

Analogs

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Popular Name: N-[4-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-chloro-4-methoxy-anil…

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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)	3.84	6.97	-16.26	2	6	0	80	393.896	6	↓ MOL2 SDF SMILES Flexibase

38739319

Analogs

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Popular Name: N-[4-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-methylsulfanylanilino…

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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)	3.58	8.14	-15.75	2	5	0	71	375.519	6	↓ MOL2 SDF SMILES Flexibase

38739328

Analogs

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Popular Name: N-[4-[2-(2-isopropylanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2-isopropylanilino)-2-o…

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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	9.25	-15.22	2	5	0	71	371.506	6	↓ MOL2 SDF SMILES Flexibase

38739382

Analogs

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Popular Name: N-[4-(2-anilino-2-oxo-ethyl)thiazol-2-yl]cyclopentanecarboxamide N-[4-(2-anilino-2-oxo-ethyl)thia…

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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)	3.18	7.11	-16.11	2	5	0	71	329.425	5	↓ MOL2 SDF SMILES Flexibase

38739383

Analogs

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Popular Name: N-[4-[2-(3-fluoroanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-fluoroanilino)-2-oxo-…

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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)	3.31	7.18	-14.98	2	5	0	71	347.415	5	↓ MOL2 SDF SMILES Flexibase

38739384

Analogs

698140

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Popular Name: N-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-fluoroanilino)-2-oxo-…

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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	7.18	-16.35	2	5	0	71	347.415	5	↓ MOL2 SDF SMILES Flexibase

38739385

Analogs

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Popular Name: N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-oxo-2-[2-(trifluoromethy…

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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)	4.02	8.38	-13.42	2	5	0	71	397.422	6	↓ MOL2 SDF SMILES Flexibase

38739386

Analogs

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Popular Name: N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-oxo-2-[3-(trifluoromethy…

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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	8.13	-18.57	2	5	0	71	397.422	6	↓ MOL2 SDF SMILES Flexibase

38739387

Analogs

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Popular Name: N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-oxo-2-[4-(trifluoromethy…

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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)	4.07	8.12	-16.33	2	5	0	71	397.422	6	↓ MOL2 SDF SMILES Flexibase

38739388

Analogs

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Popular Name: N-[4-[2-(2-methoxyanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(2-methoxyanilino)-2-oxo…

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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)	3.18	6.56	-15.54	2	6	0	80	359.451	6	↓ MOL2 SDF SMILES Flexibase

38739389

Analogs

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Popular Name: N-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-oxo-2-[4-(trifluorometho…

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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	6.9	-15.39	2	6	0	80	413.421	7	↓ MOL2 SDF SMILES Flexibase

38739390

Analogs

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Popular Name: N-[4-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-[4-(dimethylamino)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)	3.28	7.54	-17.1	2	6	0	74	372.494	6	↓ MOL2 SDF SMILES Flexibase

38739391

Analogs

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Popular Name: N-[4-[2-(3-acetamidoanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(3-acetamidoanilino)-2-o…

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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)	2.37	6.02	-20.69	3	7	0	100	386.477	6	↓ MOL2 SDF SMILES Flexibase

38739392

Analogs

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Popular Name: N-[4-[2-(4-acetamidoanilino)-2-oxo-ethyl]thiazol-2-yl]cyclopentanecarboxamide N-[4-[2-(4-acetamidoanilino)-2-o…

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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	6.02	-24.54	3	7	0	100	386.477	6	↓ MOL2 SDF SMILES Flexibase

38739393

Analogs

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Popular Name: 2-[[2-[2-(cyclopentanecarbonylamino)thiazol-4-yl]acetyl]amino]benzamide 2-[[2-[2-(cyclopentanecarbonylam…

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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)	1.95	4.35	-17.72	4	7	0	114	372.45	6	↓ MOL2 SDF SMILES Flexibase

38739394

Analogs

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Popular Name: 4-[[2-[2-(cyclopentanecarbonylamino)thiazol-4-yl]acetyl]amino]benzamide 4-[[2-[2-(cyclopentanecarbonylam…

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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)	1.99	3.93	-24.06	4	7	0	114	372.45	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 600878
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 600878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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