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Analogs

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Popular Name: 4-ethyl-7-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one 4-ethyl-7-[(3-ethyl-1,2,4-oxadia…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 6.63 -18.36 0 6 0 78 300.314 5 ↓

Analogs

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Popular Name: 6-chloro-7-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methyl-chromen-2-one 6-chloro-7-[(3-isopropyl-1,2,4-o…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.76 7.12 -13.45 0 6 0 78 334.759 4 ↓

Analogs

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Popular Name: 6-chloro-7-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methyl-chromen-2-one 6-chloro-7-[(3-ethyl-1,2,4-oxadi…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 6.67 -13.57 0 6 0 78 320.732 4 ↓

Analogs

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Popular Name: 4-methyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one 4-methyl-7-[(3-methyl-1,2,4-oxad…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 5.5 -19.05 0 6 0 78 272.26 3 ↓

Analogs

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Popular Name: 7-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-6-chloro-4-methyl-chromen-2-one 7-[(3-butyl-1,2,4-oxadiazol-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 8.21 -13.25 0 6 0 78 348.786 6 ↓

Analogs

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Popular Name: 6-chloro-4-methyl-7-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one 6-chloro-4-methyl-7-[(3-propyl-1…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 7.43 -13.34 0 6 0 78 334.759 5 ↓

Analogs

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Popular Name: 7-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one 7-[(3-tert-butyl-1,2,4-oxadiazol…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 6.49 -18.84 0 6 0 78 300.314 4 ↓

Analogs

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Popular Name: 4-ethyl-7-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]chromen-2-one 4-ethyl-7-[(1S)-1-(3-methyl-1,2,…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 6.6 -13.94 0 6 0 78 300.314 4 ↓

Analogs

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Popular Name: 4-ethyl-7-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]chromen-2-one 4-ethyl-7-[(1R)-1-(3-methyl-1,2,…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 6.6 -13.96 0 6 0 78 300.314 4 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]-4-propyl-chromen-2-one 7-[(1S)-1-(3-methyl-1,2,4-oxadia…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 7.38 -13.64 0 6 0 78 314.341 5 ↓

Analogs

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Popular Name: 7-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]-4-propyl-chromen-2-one 7-[(1R)-1-(3-methyl-1,2,4-oxadia…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 7.38 -13.64 0 6 0 78 314.341 5 ↓

Analogs

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Popular Name: 4-methyl-7-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]chromen-2-one 4-methyl-7-[(1S)-1-(3-methyl-1,2…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.86 -14.75 0 6 0 78 286.287 3 ↓

Analogs

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Popular Name: 4-methyl-7-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]chromen-2-one 4-methyl-7-[(1R)-1-(3-methyl-1,2…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.86 -14.79 0 6 0 78 286.287 3 ↓

Analogs

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Popular Name: 7-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]chromen-2-one 7-[(1R)-1-(3-methyl-1,2,4-oxadia…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 5.29 -15.13 0 6 0 78 272.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]chromen-2-one 7-[(1S)-1-(3-methyl-1,2,4-oxadia…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 5.29 -15.15 0 6 0 78 272.26 3 ↓

Parameters Provided:

ring.id = 11859
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 = 11859 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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