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ZINC Item

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35368234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2-chloro-5-nitro-phenyl)methyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(2-chloro-5-nitro-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)	2.51	9.15	-46.38	2	5	1	76	307.757	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	7.74	-6.34	1	5	0	71	306.749	4	↓ MOL2 SDF SMILES Flexibase

35368235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(2-chloro-5-nitro-phenyl)methyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(2-chloro-5-nitro-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)	2.51	9.15	-46.01	2	5	1	76	307.757	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	7.67	-6.92	1	5	0	71	306.749	4	↓ MOL2 SDF SMILES Flexibase

35625430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-(2,4-dichlorophenyl)propyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(1S)-1-(2,4-dichlorophen…

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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)	3.39	9.69	-38.78	2	2	1	30	325.259	4	↓ MOL2 SDF SMILES Flexibase

35625432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(2,4-dichlorophenyl)propyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(1R)-1-(2,4-dichlorophen…

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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)	3.39	9.91	-37.25	2	2	1	30	325.259	4	↓ MOL2 SDF SMILES Flexibase

35625434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(2,4-dichlorophenyl)propyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(1S)-1-(2,4-dichlorophen…

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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)	3.39	9.89	-39.4	2	2	1	30	325.259	4	↓ MOL2 SDF SMILES Flexibase

35625436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(2,4-dichlorophenyl)propyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(1R)-1-(2,4-dichlorophen…

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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)	3.39	9.98	-40.31	2	2	1	30	325.259	4	↓ MOL2 SDF SMILES Flexibase

35628961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(1R)-1-[[(4R)-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(4R)-4,5,6,…

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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)	2.87	6.54	-37.59	3	3	1	50	272.368	3	↓ MOL2 SDF SMILES Flexibase

35628962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(1S)-1-[[(4R)-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(4R)-4,5,6,…

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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)	2.87	5.93	-40.84	3	3	1	50	272.368	3	↓ MOL2 SDF SMILES Flexibase

35628963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(1R)-1-[[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(4S)-4,5,6,…

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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)	2.87	5.91	-38.51	3	3	1	50	272.368	3	↓ MOL2 SDF SMILES Flexibase

35628964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(1S)-1-[[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(4S)-4,5,6,…

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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)	2.87	6.56	-38.72	3	3	1	50	272.368	3	↓ MOL2 SDF SMILES Flexibase

52882695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzofuran-4-yl]propanamide (2R)-2-amino-2-phenyl-N-[(4R)-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)	1.30	4.95	-10.69	3	4	0	68	284.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.30	5.19	-54.09	4	4	1	70	285.367	3	↓ MOL2 SDF SMILES Flexibase

52882696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(4R)-4,5,6,7-tetrahydrobenzofuran-4-yl]propanamide (2S)-2-amino-2-phenyl-N-[(4R)-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)	1.30	4.89	-9.53	3	4	0	68	284.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.30	5.19	-52.22	4	4	1	70	285.367	3	↓ MOL2 SDF SMILES Flexibase

52882697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]propanamide (2R)-2-amino-2-phenyl-N-[(4S)-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)	1.30	4.95	-10.56	3	4	0	68	284.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.30	5.19	-52.31	4	4	1	70	285.367	3	↓ MOL2 SDF SMILES Flexibase

52882698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]propanamide (2S)-2-amino-2-phenyl-N-[(4S)-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)	1.30	4.89	-9.8	3	4	0	68	284.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.30	5.19	-54.02	4	4	1	70	285.367	3	↓ MOL2 SDF SMILES Flexibase

19989692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2R,6R)-2,6-dimethylcyclohexyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(2R,6R)-2,6-dimethylcycl…

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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	8.61	-33.91	2	2	1	30	248.39	2	↓ MOL2 SDF SMILES Flexibase

19989696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(2R,6S)-2,6-dimethylcycl…

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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	8.13	-34.84	2	2	1	30	248.39	2	↓ MOL2 SDF SMILES Flexibase

19989703

Analogs

21813327
21813328
21816251
21816253
21816255

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2S,6S)-2,6-dimethylcyclohexyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(2S,6S)-2,6-dimethylcycl…

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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	8.36	-34.33	2	2	1	30	248.39	2	↓ MOL2 SDF SMILES Flexibase

19990609

Analogs

22151249
22151253
22151257
22151261

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(1-isobutyl-3-methyl-butyl)-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-(1-isobutyl-3-methyl-buty…

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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	8.69	-35.52	2	2	1	30	264.433	6	↓ MOL2 SDF SMILES Flexibase

19990612

Analogs

22151249
22151253
22151257
22151261

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(1-isobutyl-3-methyl-butyl)-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-(1-isobutyl-3-methyl-buty…

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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	9.11	-33.76	2	2	1	30	264.433	6	↓ MOL2 SDF SMILES Flexibase

19996597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(1R)-1-(4-isopropylpheny…

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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)	4.01	10.49	-37.22	2	2	1	30	284.423	4	↓ MOL2 SDF SMILES Flexibase

19996600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-(4-isopropylphenyl)ethyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(1S)-1-(4-isopropylpheny…

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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)	4.01	9.9	-37.83	2	2	1	30	284.423	4	↓ MOL2 SDF SMILES Flexibase

19996604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(1R)-1-(4-isopropylpheny…

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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)	4.01	9.91	-37.84	2	2	1	30	284.423	4	↓ MOL2 SDF SMILES Flexibase

19996607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(4-isopropylphenyl)ethyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(1S)-1-(4-isopropylpheny…

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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)	4.01	10.53	-37.22	2	2	1	30	284.423	4	↓ MOL2 SDF SMILES Flexibase

20003409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(2,3-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(2,3-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.64	-41.76	2	2	1	30	297.205	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.20	7.35	-4.86	1	2	0	25	296.197	3	↓ MOL2 SDF SMILES Flexibase

20003412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(2,3-dichlorophenyl)methyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(2,3-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.73	-38.9	2	2	1	30	297.205	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.20	7.45	-5.45	1	2	0	25	296.197	3	↓ MOL2 SDF SMILES Flexibase

53541191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-thienylsulfonylamino)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]propanamide 3-(2-thienylsulfonylamino)-N-[(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	4.21	-17.66	2	6	0	88	396.534	6	↓ MOL2 SDF SMILES Flexibase

53541194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-thienylsulfonylamino)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]propanamide 3-(2-thienylsulfonylamino)-N-[(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	4.19	-17.94	2	6	0	88	396.534	6	↓ MOL2 SDF SMILES Flexibase

53541502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-N-[2-oxo-2-[[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]amino]ethyl]benzamide 3-nitro-N-[2-oxo-2-[[(4S)-2,6,6-…

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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)	2.23	7.4	-16.12	2	8	0	117	385.42	5	↓ MOL2 SDF SMILES Flexibase

53541505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-N-[2-oxo-2-[[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]amino]ethyl]benzamide 3-nitro-N-[2-oxo-2-[[(4R)-2,6,6-…

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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)	2.23	7.4	-16.16	2	8	0	117	385.42	5	↓ MOL2 SDF SMILES Flexibase

53542526

Analogs

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Popular Name: 2-methyl-5-sulfamoyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 2-methyl-5-sulfamoyl-N-[(4R)-2,6…

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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)	1.76	3.85	-14.95	3	6	0	102	376.478	3	↓ MOL2 SDF SMILES Flexibase

53542528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-sulfamoyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 2-methyl-5-sulfamoyl-N-[(4S)-2,6…

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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)	1.76	3.85	-14.44	3	6	0	102	376.478	3	↓ MOL2 SDF SMILES Flexibase

53543085

Analogs

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Popular Name: 3-[[(S)-methylsulfinyl]methyl]-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 3-[[(S)-methylsulfinyl]methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	7.44	-27.28	1	4	0	59	359.491	4	↓ MOL2 SDF SMILES Flexibase

53543087

Analogs

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Popular Name: 3-[[(S)-methylsulfinyl]methyl]-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 3-[[(S)-methylsulfinyl]methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	7.44	-27.5	1	4	0	59	359.491	4	↓ MOL2 SDF SMILES Flexibase

53543089

Analogs

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Popular Name: 3-[[(R)-methylsulfinyl]methyl]-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 3-[[(R)-methylsulfinyl]methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	7.44	-17.24	1	4	0	59	359.491	4	↓ MOL2 SDF SMILES Flexibase

53543090

Analogs

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Popular Name: 3-[[(R)-methylsulfinyl]methyl]-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 3-[[(R)-methylsulfinyl]methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	7.44	-17.21	1	4	0	59	359.491	4	↓ MOL2 SDF SMILES Flexibase

53543445

Analogs

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Popular Name: 2-chloro-5-sulfamoyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 2-chloro-5-sulfamoyl-N-[(4S)-2,6…

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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	3.7	-16.3	3	6	0	102	396.896	3	↓ MOL2 SDF SMILES Flexibase

53543447

Analogs

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Popular Name: 2-chloro-5-sulfamoyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 2-chloro-5-sulfamoyl-N-[(4R)-2,6…

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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	3.7	-15.71	3	6	0	102	396.896	3	↓ MOL2 SDF SMILES Flexibase

53543824

Analogs

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Popular Name: N-[2-oxo-2-[[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]amino]ethyl]cyclopropanecarboxamide N-[2-oxo-2-[[(4S)-2,6,6-trimethy…

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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)	1.45	5.18	-10.95	2	5	0	71	304.39	4	↓ MOL2 SDF SMILES Flexibase

53543825

Analogs

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Popular Name: N-[2-oxo-2-[[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]amino]ethyl]cyclopropanecarboxamide N-[2-oxo-2-[[(4R)-2,6,6-trimethy…

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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)	1.45	5.18	-10.97	2	5	0	71	304.39	4	↓ MOL2 SDF SMILES Flexibase

53543852

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)	1.48	4.54	-16.47	2	6	0	81	322.405	6	↓ MOL2 SDF SMILES Flexibase

53543853

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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)	1.48	4.54	-16.46	2	6	0	81	322.405	6	↓ MOL2 SDF SMILES Flexibase

53543854

Analogs

44687849

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Popular Name: N-[2-oxo-2-[[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]amino]ethyl]cyclopentanecarboxamide N-[2-oxo-2-[[(4S)-2,6,6-trimethy…

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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	6.28	-10.46	2	5	0	71	332.444	4	↓ MOL2 SDF SMILES Flexibase

53543855

Analogs

44687849

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Popular Name: N-[2-oxo-2-[[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]amino]ethyl]cyclopentanecarboxamide N-[2-oxo-2-[[(4R)-2,6,6-trimethy…

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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	6.28	-10.49	2	5	0	71	332.444	4	↓ MOL2 SDF SMILES Flexibase

53543934

Analogs

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Popular Name: 4-(methoxysulfamoyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 4-(methoxysulfamoyl)-N-[(4S)-2,6…

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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)	1.71	4.31	-16.78	2	7	0	98	392.477	5	↓ MOL2 SDF SMILES Flexibase

53543935

Analogs

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Popular Name: 4-(methoxysulfamoyl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]benzamide 4-(methoxysulfamoyl)-N-[(4R)-2,6…

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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)	1.71	4.31	-16.6	2	7	0	98	392.477	5	↓ MOL2 SDF SMILES Flexibase

53667437

Analogs

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Popular Name: 1,3,5-trimethyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]pyrazole-4-sulfonamide 1,3,5-trimethyl-N-[(4S)-2,6,6-tr…

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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	5.04	-11.87	1	6	0	77	351.472	3	↓ MOL2 SDF SMILES Flexibase

53667438

Analogs

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Popular Name: 1,3,5-trimethyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]pyrazole-4-sulfonamide 1,3,5-trimethyl-N-[(4R)-2,6,6-tr…

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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	5.15	-12.83	1	6	0	77	351.472	3	↓ MOL2 SDF SMILES Flexibase

36864793

Analogs

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Popular Name: (4R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4R)-N-[(3,5-dimethyl-1H-pyrazol…

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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)	0.70	5.47	-43.61	3	4	1	58	246.334	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.70	4.01	-7.02	2	4	0	54	245.326	3	↓ MOL2 SDF SMILES Flexibase

36864794

Analogs

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Popular Name: (4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzofuran-4-amine (4S)-N-[(3,5-dimethyl-1H-pyrazol…

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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)	0.70	5.47	-43.46	3	4	1	58	246.334	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.70	4.02	-8.24	2	4	0	54	245.326	3	↓ MOL2 SDF SMILES Flexibase

54430707

Analogs

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Popular Name: 4-amino-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(4S)-2,6,6-trimethyl-…

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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)	0.99	3.39	-7.6	3	7	0	107	290.323	2	↓ MOL2 SDF SMILES Flexibase

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