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ZINC Item

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8980792

Analogs

25533643

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(trifluoromethoxy)phenyl]methylcarbamoylmethyl]thiophene-2-carboxamide N-[[2-(trifluoromethoxy)phenyl]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)	2.96	-1.9	-10.27	2	5	0	67	358.341	7	↓ MOL2 SDF SMILES Flexibase

22745166

Analogs

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Popular Name: N-[2-(benzyl-propyl-amino)-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-(benzyl-propyl-amino)-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)	2.88	8.64	-9.49	1	4	0	49	330.453	7	↓ MOL2 SDF SMILES Flexibase

23041718

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(m-tolylmethylcarbamoyl)propyl]thiophene-2-carboxamide N-[(1R)-2-methyl-1-(m-tolylmethy…

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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	7.02	-8.48	2	4	0	58	330.453	6	↓ MOL2 SDF SMILES Flexibase

23041719

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(m-tolylmethylcarbamoyl)propyl]thiophene-2-carboxamide N-[(1S)-2-methyl-1-(m-tolylmethy…

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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	6.98	-8.7	2	4	0	58	330.453	6	↓ MOL2 SDF SMILES Flexibase

68851975

Analogs

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Popular Name: N-[2-[benzyl(methyl)amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[benzyl(methyl)amino]-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)	2.00	6.97	-10.36	1	4	0	49	302.399	5	↓ MOL2 SDF SMILES Flexibase

68867540

Analogs

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Popular Name: N-[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[(2-methoxyphenyl)methyl-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)	2.01	6.46	-9.92	1	5	0	59	332.425	6	↓ MOL2 SDF SMILES Flexibase

58005215

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-methyl-2-[[(1R)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide 5-bromo-N-[(1R)-1-methyl-2-[[(1R…

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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)	3.76	7.01	-7.73	2	4	0	58	395.322	5	↓ MOL2 SDF SMILES Flexibase

58005217

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-methyl-2-[[(1S)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide 5-bromo-N-[(1R)-1-methyl-2-[[(1S…

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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)	3.76	7.09	-7.93	2	4	0	58	395.322	5	↓ MOL2 SDF SMILES Flexibase

58005218

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-methyl-2-[[(1R)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide 5-bromo-N-[(1S)-1-methyl-2-[[(1R…

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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)	3.76	7.01	-7.89	2	4	0	58	395.322	5	↓ MOL2 SDF SMILES Flexibase

58005220

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-methyl-2-[[(1S)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide 5-bromo-N-[(1S)-1-methyl-2-[[(1S…

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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)	3.76	7.09	-7.76	2	4	0	58	395.322	5	↓ MOL2 SDF SMILES Flexibase

58305357

Analogs

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Popular Name: N-[(1S)-2-[allyl-[(4-methoxyphenyl)methyl]amino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-[allyl-[(4-methoxyphen…

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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	7.45	-11.14	1	5	0	59	358.463	8	↓ MOL2 SDF SMILES Flexibase

58305358

Analogs

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Popular Name: N-[(1R)-2-[allyl-[(4-methoxyphenyl)methyl]amino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-[allyl-[(4-methoxyphen…

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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	7.55	-11.24	1	5	0	59	358.463	8	↓ MOL2 SDF SMILES Flexibase

58316592

Analogs

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Popular Name: N-[2-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2-oxo-ethyl]-N-methyl-thiophene-2-carboxamide N-[2-[(4-fluorophenyl)methyl-pro…

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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)	2.35	9.67	-16.77	0	4	0	41	344.411	6	↓ MOL2 SDF SMILES Flexibase

14015875

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)	1.14	6.25	-14.33	2	6	0	85	346.408	8	↓ MOL2 SDF SMILES Flexibase

14015878

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)	1.14	6.25	-14.34	2	6	0	85	346.408	8	↓ MOL2 SDF SMILES Flexibase

14237191

Analogs

14237194

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Popular Name: N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[[(1R)-1-(2-chlorophenyl)et…

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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	6.2	-10.85	2	4	0	58	336.844	5	↓ MOL2 SDF SMILES Flexibase

14237194

Analogs

14237191

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Popular Name: N-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[[(1S)-1-(2-chlorophenyl)et…

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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	6.23	-10.92	2	4	0	58	336.844	5	↓ MOL2 SDF SMILES Flexibase

14239862

Analogs

26408859

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Popular Name: N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]thiophene-2-carboxamide N-[2-[(4-chlorophenyl)methylamin…

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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)	2.71	4.63	-9.57	2	4	0	58	308.79	5	↓ MOL2 SDF SMILES Flexibase

14241198

Analogs

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Popular Name: N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-N-ethyl-5-(2-methanesulfonamidoethyl)thiophene-2-car N-[2-[(4-chlorophenyl)methylamin…

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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)	2.91	5.04	-26.79	2	7	0	96	458.005	10	↓ MOL2 SDF SMILES Flexibase

14244458

Analogs

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Popular Name: N-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[(2-chloro-6-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)	2.75	7.22	-10.76	1	4	0	49	354.834	5	↓ MOL2 SDF SMILES Flexibase

14244463

Analogs

37983280

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[2-oxo-2-(p-tolylmethylamino)ethyl]thiophene-2-carboxamide 5-methyl-N-[2-oxo-2-(p-tolylmeth…

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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)	2.71	5.6	-9.16	2	4	0	58	302.399	5	↓ MOL2 SDF SMILES Flexibase

62903727

Analogs

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Popular Name: N-[(1R)-1-[allyl-[(3-cyanophenyl)methyl]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide N-[(1R)-1-[allyl-[(3-cyanophenyl…

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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	10.01	-10.43	1	5	0	73	381.501	8	↓ MOL2 SDF SMILES Flexibase

62998481

Analogs

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Popular Name: N-[2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide N-[2-[[(1S)-2-hydroxy-1-phenyl-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)	1.59	1.76	-9.88	3	5	0	78	304.371	6	↓ MOL2 SDF SMILES Flexibase

62998482

Analogs

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Popular Name: N-[2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide N-[2-[[(1R)-2-hydroxy-1-phenyl-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)	1.59	1.76	-9.86	3	5	0	78	304.371	6	↓ MOL2 SDF SMILES Flexibase

63250452

Analogs

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Popular Name: N-[(1R)-2-[allyl-[(3-nitrophenyl)methyl]amino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-[allyl-[(3-nitrophenyl…

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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)	2.69	8.96	-11.59	1	7	0	95	373.434	8	↓ MOL2 SDF SMILES Flexibase

69490808

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)	1.91	6	-11.89	2	6	0	85	346.408	7	↓ MOL2 SDF SMILES Flexibase

69490809

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)	1.91	6.01	-13.03	2	6	0	85	346.408	7	↓ MOL2 SDF SMILES Flexibase

69490811

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)	1.91	6	-13.04	2	6	0	85	346.408	7	↓ MOL2 SDF SMILES Flexibase

69520177

Analogs

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Popular Name: N-[(1S)-2-[(3-chloro-4-fluoro-phenyl)methylamino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-[(3-chloro-4-fluoro-ph…

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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)	2.63	5.49	-10.79	2	4	0	58	340.807	5	↓ MOL2 SDF SMILES Flexibase

69520178

Analogs

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Popular Name: N-[(1R)-2-[(3-chloro-4-fluoro-phenyl)methylamino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-[(3-chloro-4-fluoro-ph…

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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)	2.63	5.49	-11.22	2	4	0	58	340.807	5	↓ MOL2 SDF SMILES Flexibase

69696619

Analogs

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Popular Name: N-[(1R)-2-[[4-(dimethylamino)-3-methyl-phenyl]methylamino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxam N-[(1R)-2-[[4-(dimethylamino)-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	6.8	-9.29	2	5	0	61	345.468	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.34	6.9	-41.91	3	5	1	63	346.476	6	↓ MOL2 SDF SMILES Flexibase

69696621

Analogs

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Popular Name: N-[(1S)-2-[[4-(dimethylamino)-3-methyl-phenyl]methylamino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxam N-[(1S)-2-[[4-(dimethylamino)-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	6.8	-9.31	2	5	0	61	345.468	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.34	6.9	-41.69	3	5	1	63	346.476	6	↓ MOL2 SDF SMILES Flexibase

65548863

Analogs

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Popular Name: N-[2-[[(R)-cyano-(2,4-difluorophenyl)methyl]amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[[(R)-cyano-(2,4-difluoroph…

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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)	2.48	5.56	-14.82	2	5	0	82	349.362	5	↓ MOL2 SDF SMILES Flexibase

65548867

Analogs

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Popular Name: N-[2-[[(S)-cyano-(2,4-difluorophenyl)methyl]amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[[(S)-cyano-(2,4-difluoroph…

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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)	2.48	5.54	-15	2	5	0	82	349.362	5	↓ MOL2 SDF SMILES Flexibase

65553954

Analogs

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Popular Name: N-[(1R)-2-[(2-hydroxyphenyl)methyl-propyl-amino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-[(2-hydroxyphenyl)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)	2.93	6.93	-10.61	2	5	0	70	346.452	7	↓ MOL2 SDF SMILES Flexibase

65553955

Analogs

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Popular Name: N-[(1S)-2-[(2-hydroxyphenyl)methyl-propyl-amino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-[(2-hydroxyphenyl)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)	2.93	7.06	-10	2	5	0	70	346.452	7	↓ MOL2 SDF SMILES Flexibase

69745075

Analogs

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Popular Name: N-[2-[[2-[ethyl(methyl)amino]phenyl]methylamino]-2-oxo-ethyl]-N-methyl-thiophene-2-carboxamide N-[2-[[2-[ethyl(methyl)amino]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)	2.71	8.21	-15.2	1	5	0	53	345.468	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.71	7.97	-45.88	2	5	1	54	346.476	7	↓ MOL2 SDF SMILES Flexibase

69842642

Analogs

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Popular Name: N-[2-[[4-(dimethylamino)-3-methyl-phenyl]methylamino]-2-oxo-ethyl]-N-methyl-thiophene-2-carboxamide N-[2-[[4-(dimethylamino)-3-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)	2.76	7.94	-15.23	1	5	0	53	345.468	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.76	7.99	-46.78	2	5	1	54	346.476	6	↓ MOL2 SDF SMILES Flexibase

41589782

Analogs

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Popular Name: N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[(3,4-dimethoxyphenyl)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)	1.90	4.1	-12.84	2	6	0	77	348.424	7	↓ MOL2 SDF SMILES Flexibase

41591276

Analogs

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Popular Name: N-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[[(1S)-1-(4-bromophenyl)pro…

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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	6.99	-9.24	2	4	0	58	395.322	6	↓ MOL2 SDF SMILES Flexibase

41591278

Analogs

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Popular Name: N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide N-[2-[[(1R)-1-(4-bromophenyl)pro…

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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	6.99	-9.2	2	4	0	58	395.322	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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