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ZINC Item

Suppliers, Protomers, & Similar Substances

6050957

Analogs

35492554
35492569
35492598

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-6-(2-methylprop-2-enyl)-N-pentyl-2-oxa-6-azabicyclo[3.3.0]octa-3,7,9-triene-7-carboxamide 3-methyl-6-(2-methylprop-2-enyl)…

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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)	4.13	1.28	-8.38	1	4	0	47	288.391	7	↓ MOL2 SDF SMILES Flexibase

6728058

Analogs

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Popular Name: N-(2-furylmethyl)-8-(3-phenylpropyl)-4-oxa-8-azabicyclo[3.3.0]octa-2,6,9-triene-7-carboxamide N-(2-furylmethyl)-8-(3-phenylpro…

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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	1.19	-10.87	1	5	0	60	348.402	7	↓ MOL2 SDF SMILES Flexibase

6728059

Analogs

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Popular Name: N-phenethyl-8-(3-phenylpropyl)-4-oxa-8-azabicyclo[3.3.0]octa-2,6,9-triene-7-carboxamide N-phenethyl-8-(3-phenylpropyl)-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)	4.90	0.81	-11.76	1	4	0	47	372.468	8	↓ MOL2 SDF SMILES Flexibase

6728060

Analogs

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Popular Name: 6-(3-phenylpropyl)-N-propyl-2-oxa-6-azabicyclo[3.3.0]octa-3,7,9-triene-7-carboxamide 6-(3-phenylpropyl)-N-propyl-2-ox…

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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	0.63	-10.33	1	4	0	47	310.397	7	↓ MOL2 SDF SMILES Flexibase

36166236

Analogs

35475453
35475584
35475666
35475860
35492409

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-(2-morpholinoethyl)-4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide 2-methyl-N-(2-morpholinoethyl)-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)	2.40	8.02	-15.78	1	9	0	105	412.446	7	↓ MOL2 SDF SMILES Flexibase

21528223

Analogs

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Popular Name: 5-[4-(5-chloro-2-methoxy-phenyl)-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methyl-furo[3,2-b 5-[4-(5-chloro-2-methoxy-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)	4.56	12.36	-16.44	0	7	0	71	451.939	6	↓ MOL2 SDF SMILES Flexibase

21528225

Analogs

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Popular Name: 5-[5-allylsulfanyl-4-(5-chloro-2-methoxy-phenyl)-1,2,4-triazol-3-yl]-4-methyl-furo[3,2-b]pyrrole 5-[5-allylsulfanyl-4-(5-chloro-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)	4.78	11.73	-13.46	0	6	0	58	400.891	6	↓ MOL2 SDF SMILES Flexibase

12404835

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid 2-(3,4-dichlorophenyl)-4H-furo[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)	4.29	-0.29	-44.31	1	4	-1	69	295.101	2	↓ MOL2 SDF SMILES Flexibase

15935224

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(2,5-dimethylphenyl)-3-(4H-fur…

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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)	2.64	4.37	-15.94	4	7	0	99	312.329	3	↓ MOL2 SDF SMILES Flexibase

15936435

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(3,5-dimethylphenyl)-3-(4H-fur…

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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)	2.64	4.18	-15.9	4	7	0	99	312.329	3	↓ MOL2 SDF SMILES Flexibase

15936436

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(2,5-dimethoxyphenyl)-3-(4H-fu…

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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)	1.86	1.56	-17.48	4	9	0	118	344.327	5	↓ MOL2 SDF SMILES Flexibase

15936437

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(2,3-dimethylphenyl)-3-(4H-fur…

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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)	2.62	4.26	-15.91	4	7	0	99	312.329	3	↓ MOL2 SDF SMILES Flexibase

15936438

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-1-[(4-methylfuro[2,3-d]pyrrole-5-carbonyl)amino]urea 3-(2,4-dimethoxyphenyl)-1-[(4-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)	1.93	3.17	-14.17	3	9	0	107	358.354	5	↓ MOL2 SDF SMILES Flexibase

15936439

Analogs

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Popular Name: 1-[(4-methylfuro[2,3-d]pyrrole-5-carbonyl)amino]-3-(3,4,5-trimethoxyphenyl)urea 1-[(4-methylfuro[2,3-d]pyrrole-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)	1.52	3.61	-18.97	3	10	0	116	388.38	6	↓ MOL2 SDF SMILES Flexibase

40442805

Analogs

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Popular Name: 4H-furo[3,2-b]pyrrole 4H-furo[3,2-b]pyrrole

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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	2.59	-7.67	1	2	0	29	107.112	0	↓ MOL2 SDF SMILES Flexibase

40767625

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-(2-anilino-2-oxo-ethyl)-4-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)	1.95	4.61	-13.02	2	6	0	76	297.314	4	↓ MOL2 SDF SMILES Flexibase

40767627

Analogs

40767646

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-(3-methylanilino)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(3-methylanilino)-…

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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	5.28	-12.97	2	6	0	76	311.341	4	↓ MOL2 SDF SMILES Flexibase

40767629

Analogs

40767891
40767893

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Popular Name: 4-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(4-methylanilino)-…

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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)	2.40	5.29	-13.07	2	6	0	76	311.341	4	↓ MOL2 SDF SMILES Flexibase

40767631

Analogs

40767634
40767652

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Popular Name: N-[2-(4-ethylanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-ethylanilino)-2-oxo-ethy…

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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)	2.86	6.05	-12.92	2	6	0	76	325.368	5	↓ MOL2 SDF SMILES Flexibase

40767634

Analogs

40767652
40767631

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Popular Name: N-[2-(4-isopropylanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-isopropylanilino)-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)	3.46	6.54	-12.76	2	6	0	76	339.395	5	↓ MOL2 SDF SMILES Flexibase

40767636

Analogs

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Popular Name: N-[2-(3-fluoroanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3-fluoroanilino)-2-oxo-eth…

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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)	2.09	4.67	-15.36	2	6	0	76	315.304	4	↓ MOL2 SDF SMILES Flexibase

40767638

Analogs

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Popular Name: N-[2-(4-fluoroanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-fluoroanilino)-2-oxo-eth…

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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)	2.11	4.67	-13.6	2	6	0	76	315.304	4	↓ MOL2 SDF SMILES Flexibase

40767640

Analogs

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Popular Name: N-[2-(3-chloroanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3-chloroanilino)-2-oxo-eth…

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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)	2.60	5.13	-14.28	2	6	0	76	331.759	4	↓ MOL2 SDF SMILES Flexibase

40767642

Analogs

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Popular Name: N-[2-(4-chloroanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-chloroanilino)-2-oxo-eth…

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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	5.13	-13	2	6	0	76	331.759	4	↓ MOL2 SDF SMILES Flexibase

40767644

Analogs

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Popular Name: N-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3,4-dimethylanilino)-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)	2.77	5.85	-13.15	2	6	0	76	325.368	4	↓ MOL2 SDF SMILES Flexibase

40767646

Analogs

40767627

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Popular Name: N-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3,5-dimethylanilino)-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)	2.77	5.95	-13.12	2	6	0	76	325.368	4	↓ MOL2 SDF SMILES Flexibase

40767648

Analogs

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Popular Name: N-[2-(4-bromoanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-bromoanilino)-2-oxo-ethy…

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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	5.23	-12.94	2	6	0	76	376.21	4	↓ MOL2 SDF SMILES Flexibase

40767650

Analogs

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Popular Name: N-[2-(3-acetylanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3-acetylanilino)-2-oxo-eth…

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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)	1.82	5.03	-21.05	2	7	0	93	339.351	5	↓ MOL2 SDF SMILES Flexibase

40767652

Analogs

40767631
40767634

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Popular Name: N-[2-(4-acetylanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-acetylanilino)-2-oxo-eth…

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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)	1.85	5.12	-16.4	2	7	0	93	339.351	5	↓ MOL2 SDF SMILES Flexibase

40767654

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)	2.10	5.25	-19.88	2	8	0	103	355.35	6	↓ MOL2 SDF SMILES Flexibase

40767656

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)	2.12	5.27	-17.34	2	8	0	103	355.35	6	↓ MOL2 SDF SMILES Flexibase

40767658

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)	2.50	6.21	-15.89	2	8	0	103	369.377	7	↓ MOL2 SDF SMILES Flexibase

40767660

Analogs

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Popular Name: N-[2-(4-cyanoanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-cyanoanilino)-2-oxo-ethy…

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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	5.01	-15.99	2	7	0	100	322.324	4	↓ MOL2 SDF SMILES Flexibase

40767662

Analogs

40767664

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Popular Name: 4-methyl-N-[2-(1-naphthylamino)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(1-naphthylamino)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	7.02	-13.88	2	6	0	76	347.374	4	↓ MOL2 SDF SMILES Flexibase

40767664

Analogs

40767662

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Popular Name: 4-methyl-N-[2-(2-naphthylamino)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(2-naphthylamino)-…

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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	6.89	-14.01	2	6	0	76	347.374	4	↓ MOL2 SDF SMILES Flexibase

40767666

Analogs

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Popular Name: N-[2-(3-methoxyanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3-methoxyanilino)-2-oxo-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)	1.98	3.91	-15.89	2	7	0	86	327.34	5	↓ MOL2 SDF SMILES Flexibase

40767668

Analogs

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Popular Name: N-[2-(4-methoxyanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-methoxyanilino)-2-oxo-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)	2.01	3.9	-14.02	2	7	0	86	327.34	5	↓ MOL2 SDF SMILES Flexibase

40767670

Analogs

4345798

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Popular Name: N-[2-(4-ethoxyanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-ethoxyanilino)-2-oxo-eth…

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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)	2.38	4.83	-13.93	2	7	0	86	341.367	6	↓ MOL2 SDF SMILES Flexibase

40767672

Analogs

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Popular Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(1,3-benzodioxol-5-ylamino)…

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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)	1.84	3.27	-17.44	2	8	0	95	341.323	4	↓ MOL2 SDF SMILES Flexibase

40767674

Analogs

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Popular Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(2,3-dihydro-1,4-benzodioxi…

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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	3.76	-17.27	2	8	0	95	355.35	4	↓ MOL2 SDF SMILES Flexibase

40767676

Analogs

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Popular Name: N-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3-chloro-4-methoxy-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)	2.61	4.46	-16.47	2	7	0	86	361.785	5	↓ MOL2 SDF SMILES Flexibase

40767678

Analogs

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Popular Name: N-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(3,4-dimethoxyanilino)-2-ox…

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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)	1.60	3.82	-16.15	2	8	0	95	357.366	6	↓ MOL2 SDF SMILES Flexibase

40767680

Analogs

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Popular Name: N-[2-(4-benzyloxyanilino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-benzyloxyanilino)-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)	3.60	7.89	-14.81	2	7	0	86	403.438	7	↓ MOL2 SDF SMILES Flexibase

40767682

Analogs

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Popular Name: 4-methyl-N-[2-oxo-2-(4-phenoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-oxo-2-(4-phenoxyan…

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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)	3.70	7.49	-14.86	2	7	0	86	389.411	6	↓ MOL2 SDF SMILES Flexibase

40767684

Analogs

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Popular Name: 4-methyl-N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-[(2-methyl-1,3-ben…

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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)	2.07	4.81	-17.58	2	7	0	89	368.418	4	↓ MOL2 SDF SMILES Flexibase

40767686

Analogs

40767688
40769721
40769725

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Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-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)	0.76	1.71	-11.98	2	6	0	76	249.27	4	↓ MOL2 SDF SMILES Flexibase

40767688

Analogs

40769721
40769725
40767686

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-(methylamino)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(methylamino)-2-ox…

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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)	0.39	0.87	-12.6	2	6	0	76	235.243	3	↓ MOL2 SDF SMILES Flexibase

40767690

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(cyclopropylamino)-2-oxo-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)	0.75	2.58	-11.83	2	6	0	76	261.281	4	↓ MOL2 SDF SMILES Flexibase

40767692

Analogs

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Popular Name: N-[2-(cyclopentylamino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(cyclopentylamino)-2-oxo-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)	1.79	3.88	-11.77	2	6	0	76	289.335	4	↓ MOL2 SDF SMILES Flexibase

40767694

Analogs

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Popular Name: N-[2-(cyclohexylamino)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(cyclohexylamino)-2-oxo-eth…

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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	4.4	-11.8	2	6	0	76	303.362	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3108
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 = 3108 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<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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