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ZINC Item

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48629039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-tetrahydrofuran-3-yl]methanol (R)-2,3-dihydro-1,4-benzodioxin-…

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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)	1.12	2.12	-7.44	1	4	0	48	236.267	2	↓ MOL2 SDF SMILES Flexibase

48629041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-tetrahydrofuran-3-yl]methanol (S)-2,3-dihydro-1,4-benzodioxin-…

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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)	1.12	1.88	-8.02	1	4	0	48	236.267	2	↓ MOL2 SDF SMILES Flexibase

48629043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-tetrahydrofuran-3-yl]methanol (R)-2,3-dihydro-1,4-benzodioxin-…

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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)	1.12	1.97	-8.07	1	4	0	48	236.267	2	↓ MOL2 SDF SMILES Flexibase

48629045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-tetrahydrofuran-3-yl]methanol (S)-2,3-dihydro-1,4-benzodioxin-…

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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)	1.12	2.2	-7.23	1	4	0	48	236.267	2	↓ MOL2 SDF SMILES Flexibase

48629293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(7-bromo-2,3-dihydro-1,4-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)	1.86	2.69	-6.05	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

48629294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(7-bromo-2,3-dihydro-1,4-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)	1.86	2.22	-7.26	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

48629296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(7-bromo-2,3-dihydro-1,4-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)	1.86	2.32	-7.16	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

48629298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(7-bromo-2,3-dihydro-1,4-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)	1.86	2.81	-6.14	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

48629320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(7-chloro-2,3-dihydro-1,4-be…

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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)	1.73	2.62	-6.05	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

48629322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(7-chloro-2,3-dihydro-1,4-be…

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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)	1.73	2.13	-7.36	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

48629324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(7-chloro-2,3-dihydro-1,4-be…

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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)	1.73	2.23	-7.19	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

48629326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(7-chloro-2,3-dihydro-1,4-be…

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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)	1.73	2.74	-6.15	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

48629725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(R)-chloro-[(3R)-tetrahydrofu…

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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	5.3	-8.34	0	3	0	28	254.713	2	↓ MOL2 SDF SMILES Flexibase

48629726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(S)-chloro-[(3R)-tetrahydrofu…

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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	5.28	-7.28	0	3	0	28	254.713	2	↓ MOL2 SDF SMILES Flexibase

48629727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(R)-chloro-[(3S)-tetrahydrofu…

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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	5.24	-6.48	0	3	0	28	254.713	2	↓ MOL2 SDF SMILES Flexibase

48629728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(S)-chloro-[(3S)-tetrahydrofu…

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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	5.28	-6.67	0	3	0	28	254.713	2	↓ MOL2 SDF SMILES Flexibase

48629853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(R)-chloro-[(3R)-tetr…

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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	5.8	-5.7	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48629854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(S)-chloro-[(3R)-tetr…

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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	5.8	-5.38	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48629855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(R)-chloro-[(3S)-tetr…

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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	5.91	-5.22	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48629856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(S)-chloro-[(3S)-tetr…

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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	5.84	-5.65	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48629869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-chloro-6-[(R)-chloro-[(3R)-tet…

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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	5.73	-5.72	0	3	0	28	289.158	2	↓ MOL2 SDF SMILES Flexibase

48629870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-chloro-6-[(S)-chloro-[(3R)-tet…

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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	5.73	-5.39	0	3	0	28	289.158	2	↓ MOL2 SDF SMILES Flexibase

48629871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-chloro-6-[(R)-chloro-[(3S)-tet…

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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	5.84	-5.2	0	3	0	28	289.158	2	↓ MOL2 SDF SMILES Flexibase

48629872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-chloro-6-[(S)-chloro-[(3S)-tet…

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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	5.77	-5.66	0	3	0	28	289.158	2	↓ MOL2 SDF SMILES Flexibase

48630096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(R)-bromo-[(3R)-tetrahydrofur…

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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	5.36	-7.99	0	3	0	28	299.164	2	↓ MOL2 SDF SMILES Flexibase

48630097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(S)-bromo-[(3R)-tetrahydrofur…

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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	5.36	-6.92	0	3	0	28	299.164	2	↓ MOL2 SDF SMILES Flexibase

48630098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(R)-bromo-[(3S)-tetrahydrofur…

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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	5.29	-6.21	0	3	0	28	299.164	2	↓ MOL2 SDF SMILES Flexibase

48630099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 6-[(S)-bromo-[(3S)-tetrahydrofur…

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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	5.36	-6.4	0	3	0	28	299.164	2	↓ MOL2 SDF SMILES Flexibase

48630224

Analogs

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Popular Name: 7-bromo-6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(R)-bromo-[(3R)-tetra…

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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	5.86	-5.46	0	3	0	28	378.06	2	↓ MOL2 SDF SMILES Flexibase

48630225

Analogs

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Popular Name: 7-bromo-6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(S)-bromo-[(3R)-tetra…

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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	5.87	-5.13	0	3	0	28	378.06	2	↓ MOL2 SDF SMILES Flexibase

48630226

Analogs

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Popular Name: 7-bromo-6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(R)-bromo-[(3S)-tetra…

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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	5.98	-5.03	0	3	0	28	378.06	2	↓ MOL2 SDF SMILES Flexibase

48630227

Analogs

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Popular Name: 7-bromo-6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine 7-bromo-6-[(S)-bromo-[(3S)-tetra…

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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	5.9	-5.51	0	3	0	28	378.06	2	↓ MOL2 SDF SMILES Flexibase

48630240

Analogs

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Popular Name: 6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-7-chloro-2,3-dihydro-1,4-benzodioxine 6-[(R)-bromo-[(3R)-tetrahydrofur…

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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	5.8	-5.5	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48630241

Analogs

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Popular Name: 6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-7-chloro-2,3-dihydro-1,4-benzodioxine 6-[(S)-bromo-[(3R)-tetrahydrofur…

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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	5.8	-5.19	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48630242

Analogs

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Popular Name: 6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-7-chloro-2,3-dihydro-1,4-benzodioxine 6-[(R)-bromo-[(3S)-tetrahydrofur…

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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	5.9	-5.06	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

48630243

Analogs

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Popular Name: 6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-7-chloro-2,3-dihydro-1,4-benzodioxine 6-[(S)-bromo-[(3S)-tetrahydrofur…

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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	5.84	-5.48	0	3	0	28	333.609	2	↓ MOL2 SDF SMILES Flexibase

68857219

Analogs

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Popular Name: (R)-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(8-chloro-2,3-dihydro-1,4-be…

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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)	1.92	2.66	-7.15	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

68857221

Analogs

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Popular Name: (S)-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(8-chloro-2,3-dihydro-1,4-be…

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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)	1.92	2.41	-7.57	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

68857225

Analogs

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Popular Name: (R)-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(8-chloro-2,3-dihydro-1,4-be…

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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)	1.92	2.51	-7.77	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

68857228

Analogs

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Popular Name: (S)-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(8-chloro-2,3-dihydro-1,4-be…

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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)	1.92	2.75	-7.47	1	4	0	48	270.712	2	↓ MOL2 SDF SMILES Flexibase

68869673

Analogs

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Popular Name: (R)-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(8-bromo-2,3-dihydro-1,4-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)	2.06	2.78	-7.04	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

68869678

Analogs

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Popular Name: (S)-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(8-bromo-2,3-dihydro-1,4-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)	2.06	2.53	-7.43	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

68869682

Analogs

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Popular Name: (R)-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(8-bromo-2,3-dihydro-1,4-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)	2.06	2.63	-7.61	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

68869688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(8-bromo-2,3-dihydro-1,4-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)	2.06	2.87	-7.35	1	4	0	48	315.163	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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