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Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenyl-propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 4.18 -14.39 0 4 0 54 253.323 3 ↓

Analogs

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Popular Name: N-[(1S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-oxo-1-phenyl-propyl]acetamide N-[(1S)-3-(1,1-dioxo-1,2-thiazol…

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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) -0.73 3.04 -20.63 1 6 0 84 310.375 4 ↓

Analogs

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Popular Name: N-[(1R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-oxo-1-phenyl-propyl]acetamide N-[(1R)-3-(1,1-dioxo-1,2-thiazol…

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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) -0.73 3.03 -20.19 1 6 0 84 310.375 4 ↓

Analogs

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Popular Name: (3S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenyl-butan-1-one (3S)-1-(1,1-dioxo-1,2-thiazolidi…

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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) 2.04 4.62 -13.92 0 4 0 54 267.35 3 ↓

Analogs

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Popular Name: (3R)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenyl-butan-1-one (3R)-1-(1,1-dioxo-1,2-thiazolidi…

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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) 2.04 4.62 -13.88 0 4 0 54 267.35 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(4-methoxyphenyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 3.48 -15.56 0 5 0 64 283.349 4 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(3-methoxyphenyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 3.48 -16.05 0 5 0 64 283.349 4 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(m-tolyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 4.85 -14.49 0 4 0 54 267.35 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-ethoxyphenyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 4.46 -16.4 0 5 0 64 297.376 5 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(3-fluoro-4-methoxy-phenyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 3.55 -17.26 0 5 0 64 301.339 4 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(p-tolyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 4.85 -14.48 0 4 0 54 267.35 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(4-isopropylphenyl)propan-1-one 1-(1,1-dioxo-1,2-thiazolidin-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 6.11 -14.17 0 4 0 54 295.404 4 ↓

Parameters Provided:

ring.id = 248400
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 = 248400 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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