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ZINC Item

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52855112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	1.38	6.17	-21.47	0	6	0	71	362.451	3	↓ MOL2 SDF SMILES Flexibase

53308137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]-methyl-amino]-N-(5-methylisoxazol-3-yl)ac 2-[[2-(6,7-dihydro-5H-cyclopenta…

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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	9.08	-21.17	1	7	0	89	367.405	5	↓ MOL2 SDF SMILES Flexibase

18952045

Analogs

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Popular Name: (2-cyanophenyl)methyl (2-cyanophenyl)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)	3.93	12.5	-15.63	0	4	0	63	331.371	5	↓ MOL2 SDF SMILES Flexibase

18952046

Analogs

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Popular Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] [2-[(4-dimethylaminophenyl)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)	3.48	13.83	-16.59	0	6	0	63	420.509	8	↓ MOL2 SDF SMILES Flexibase

18952069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] [2-oxo-2-(4-pyrimidin-2-ylpipera…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	12.09	-18.09	0	8	0	89	420.469	6	↓ MOL2 SDF SMILES Flexibase

18952091

Analogs

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Popular Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxo-ethyl] [2-[[3-(ethylcarbamoyl)phenyl]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)	2.98	10.23	-25.57	2	7	0	98	420.465	8	↓ MOL2 SDF SMILES Flexibase

18952092

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)	2.60	10.59	-17.97	1	8	0	98	428.485	8	↓ MOL2 SDF SMILES Flexibase

18952102

Analogs

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Popular Name: [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxo-ethyl] [2-[2-[4-(difluoromethoxy)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)	4.15	11.67	-19.48	1	6	0	78	443.446	10	↓ MOL2 SDF SMILES Flexibase

18952124

Analogs

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Popular Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] [2-[(2-fluorophenyl)methylamino]…

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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	11.34	-15.41	1	5	0	69	381.403	7	↓ MOL2 SDF SMILES Flexibase

36112391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-(6-acetyl-1,3-benzodioxol-5-yl…

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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)	3.29	9.13	-16.22	1	6	0	78	377.396	4	↓ MOL2 SDF SMILES Flexibase

22650895

Analogs

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Popular Name: (5-chlorothiadiazol-4-yl)methyl (5-chlorothiadiazol-4-yl)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)	3.86	9.07	-11.86	0	5	0	65	348.811	5	↓ MOL2 SDF SMILES Flexibase

22666126

Analogs

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Popular Name: [3-[2-[(2-methoxyphenyl)amino]-2-oxo-ethyl]-1,2,4-oxadiazol-5-yl]methyl [3-[2-[(2-methoxyphenyl)amino]-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)	3.31	8.87	-21.61	1	9	0	117	461.474	9	↓ MOL2 SDF SMILES Flexibase

22666766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-methyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-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)	3.40	10.34	-18.91	0	5	0	52	363.413	4	↓ MOL2 SDF SMILES Flexibase

53625455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]piperazin-1-yl]-N-isopropyl-2-oxo-acetam 2-[4-[2-(6,7-dihydro-5H-cyclopen…

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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)	1.11	7.71	-15.78	1	7	0	83	397.475	4	↓ MOL2 SDF SMILES Flexibase

12539400

Analogs

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Popular Name: [1-(difluoromethyl)imidazol-2-yl]methyl [1-(difluoromethyl)imidazol-2-yl…

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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)	2.94	10.74	-17.61	0	5	0	57	346.333	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.94	11.21	-43.22	1	5	1	59	347.341	6	↓ MOL2 SDF SMILES Flexibase

12854850

Analogs

12854855

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[(1R)-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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	10.57	-17.9	1	6	0	72	360.417	4	↓ MOL2 SDF SMILES Flexibase

12854855

Analogs

12854850

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[(1S)-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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	10.56	-17.97	1	6	0	72	360.417	4	↓ MOL2 SDF SMILES Flexibase

22743770

Analogs

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Popular Name: (2-ethylthiazol-4-yl)methyl (2-ethylthiazol-4-yl)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)	3.68	10.76	-13.15	0	4	0	52	341.432	6	↓ MOL2 SDF SMILES Flexibase

36875728

Analogs

36875729

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-[(3S)-1-benzylpyrrolidin-3-yl]…

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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)	3.42	12.07	-51.76	2	4	1	47	375.492	5	↓ MOL2 SDF SMILES Flexibase

36875729

Analogs

36875728

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-[(3R)-1-benzylpyrrolidin-3-yl]…

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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)	3.42	11.9	-50.81	2	4	1	47	375.492	5	↓ MOL2 SDF SMILES Flexibase

22750842

Analogs

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Popular Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl (3-isopropyl-1,2,4-oxadiazol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	8.81	-12.17	0	6	0	78	340.379	6	↓ MOL2 SDF SMILES Flexibase

22764465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	4.49	13.26	-30.18	1	6	0	73	444.51	4	↓ MOL2 SDF SMILES Flexibase

22994244

Analogs

31919030

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamido-2-methyl-phenyl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-(3-acetamido-2-methyl-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)	3.14	9.3	-26.06	2	5	0	71	362.429	4	↓ MOL2 SDF SMILES Flexibase

22994872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-(6-morpholino-3-pyridyl)acetamide 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.79	7.66	-17.57	1	6	0	68	377.444	4	↓ MOL2 SDF SMILES Flexibase

23011379

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[4-[(2-morpholinoacetyl)amino]phenyl]acetamide 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.99	7.13	-18.83	2	7	0	84	433.508	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.99	9.33	-52.02	3	7	1	85	434.516	6	↓ MOL2 SDF SMILES Flexibase

54660581

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidy 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.19	8.72	-18.35	0	6	0	72	365.433	3	↓ MOL2 SDF SMILES Flexibase

54660583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidy 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.19	8.72	-18.28	0	6	0	72	365.433	3	↓ MOL2 SDF SMILES Flexibase

23029021

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)	3.44	10.17	-17.52	1	5	0	69	363.413	6	↓ MOL2 SDF SMILES Flexibase

54663802

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]eth 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.19	8.73	-18.21	0	6	0	72	365.433	3	↓ MOL2 SDF SMILES Flexibase

23043251

Analogs

5937404

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Popular Name: N-(dicyclopropylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-(dicyclopropylmethyl)-2-(6,7-d…

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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	10.99	-13.84	1	3	0	42	309.409	5	↓ MOL2 SDF SMILES Flexibase

24987231

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)	3.71	10.97	-16.33	1	5	0	69	355.434	5	↓ MOL2 SDF SMILES Flexibase

13429674

Analogs

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Popular Name: 7-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]amino]-2,3-dihydro-1,4-benzodioxine-6-carb 7-[[2-(6,7-dihydro-5H-cyclopenta…

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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	8.59	-54.96	1	7	-1	101	392.387	4	↓ MOL2 SDF SMILES Flexibase

68856637

Analogs

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Popular Name: N'-[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]-2-morpholino-thiazole-4-carbohydrazide N'-[2-(6,7-dihydro-5H-cyclopenta…

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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	6.98	-15.82	2	8	0	97	426.498	5	↓ MOL2 SDF SMILES Flexibase

60117985

Analogs

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Popular Name: 1-[3-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[f]benzofuran-2-yl]-3-(2,4-difluorophenyl)urea 1-[3-(2-chlorophenyl)-6,7-dihydr…

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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)	6.59	12.98	-11.05	2	4	0	54	438.861	3	↓ MOL2 SDF SMILES Flexibase

14570523

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-prop N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	4.20	12.73	-17.51	1	6	0	79	449.938	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.66	10.02	-50.75	0	6	-1	82	448.93	6	↓ MOL2 SDF SMILES Flexibase

14572980

Analogs

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Popular Name: 3-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]amino]-N-ethyl-benzamide 3-[[2-(6,7-dihydro-5H-cyclopenta…

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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	8.58	-24.87	2	5	0	71	362.429	5	↓ MOL2 SDF SMILES Flexibase

14583521

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-meth N-(6-amino-1-benzyl-2,4-dioxo-py…

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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	10.46	-27.54	3	8	0	114	444.491	5	↓ MOL2 SDF SMILES Flexibase

69057248

Analogs

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Popular Name: N-(2-acetamidoethyl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-(2-acetamidoethyl)-2-(6,7-dihy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	4.91	-17.58	2	5	0	71	300.358	5	↓ MOL2 SDF SMILES Flexibase

69131522

Analogs

21043266

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-(4-methylpiperazin-1-yl)ethanone 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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	9.55	-50.63	1	4	1	38	299.394	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.01	7.21	-12.85	0	4	0	37	298.386	2	↓ MOL2 SDF SMILES Flexibase

69147181

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-pyrrolidin-1-yl-ethanone 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.52	8.97	-13.3	0	3	0	33	269.344	2	↓ MOL2 SDF SMILES Flexibase

69232336

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]a 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	3.52	10.75	-47.8	2	5	1	56	393.507	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	8.87	-15.05	1	5	0	55	392.499	7	↓ MOL2 SDF SMILES Flexibase

69232338

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]a 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	3.52	10.76	-48.17	2	5	1	56	393.507	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	8.22	-13.85	1	5	0	55	392.499	7	↓ MOL2 SDF SMILES Flexibase

69248330

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-[3-(azepan-1-yl)propyl]-2-(6,7…

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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	11.07	-48.42	2	4	1	47	355.502	6	↓ MOL2 SDF SMILES Flexibase

69266916

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-(4-isobutylpiperazin-1-yl)ethanone 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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	11.65	-49.45	1	4	1	38	341.475	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	9.73	-12.28	0	4	0	37	340.467	4	↓ MOL2 SDF SMILES Flexibase

55567971

Analogs

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Popular Name: N-[3-(3-cyanopropoxy)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-[3-(3-cyanopropoxy)phenyl]-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)	3.33	10.99	-20.69	1	5	0	75	374.44	7	↓ MOL2 SDF SMILES Flexibase

69740607

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	0.94	7.03	-21.16	1	6	0	80	340.379	5	↓ MOL2 SDF SMILES Flexibase

56152393

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-(2-morpholino-3-pyridyl)acetamide 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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)	2.57	9	-14.16	1	6	0	68	377.444	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	9.47	-39.75	2	6	1	69	378.452	4	↓ MOL2 SDF SMILES Flexibase

69780546

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-methyl-N-[(1S)-1-methyl-2-methylsulfonyl-ethyl]ace 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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	7.42	-26.46	0	5	0	68	349.452	5	↓ MOL2 SDF SMILES Flexibase

69780547

Analogs

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Popular Name: 2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-N-methyl-N-[(1R)-1-methyl-2-methylsulfonyl-ethyl]ace 2-(6,7-dihydro-5H-cyclopenta[f]b…

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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	7.64	-24.78	0	5	0	68	349.452	5	↓ MOL2 SDF SMILES Flexibase

49281217

Analogs

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Popular Name: N-(2-bromoallyl)-2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetamide N-(2-bromoallyl)-2-(6,7-dihydro-…

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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)	2.98	7.74	-11.88	1	3	0	42	334.213	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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