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Analogs

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Popular Name: 3-[(5S)-2,4-dioxo-7-thia-3-azaspiro[4.4]nonan-3-yl]-N-(3-fluorophenyl)propanamide 3-[(5S)-2,4-dioxo-7-thia-3-azasp…

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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) 1.06 6.58 -14.54 1 5 0 66 336.388 4 ↓

Analogs

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Popular Name: 3-[(5R)-2,4-dioxo-7-thia-3-azaspiro[4.4]nonan-3-yl]-N-(3-fluorophenyl)propanamide 3-[(5R)-2,4-dioxo-7-thia-3-azasp…

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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) 1.06 6.59 -14.4 1 5 0 66 336.388 4 ↓

Analogs

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Popular Name: (5S)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[[methyl-[2-(3-methylphen…

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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) 1.97 7 -12.7 0 5 0 50 348.468 6 ↓
Lo Low (pH 4.5-6) 1.97 9.42 -42.14 1 5 1 51 349.476 6 ↓

Analogs

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Popular Name: (5R)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[[methyl-[2-(3-methylphen…

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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) 1.97 6.98 -11.5 0 5 0 50 348.468 6 ↓
Lo Low (pH 4.5-6) 1.97 9.46 -41.57 1 5 1 51 349.476 6 ↓

Analogs

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Popular Name: (5S)-3-[(1S)-1-(2-pyridyl)butyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[(1S)-1-(2-pyridyl)butyl]…

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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) 1.69 8.78 -10.83 0 4 0 50 304.415 4 ↓
Lo Low (pH 4.5-6) 1.69 8.87 -36.93 1 4 1 52 305.423 4 ↓

Analogs

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Popular Name: (5S)-3-[(1R)-1-(2-pyridyl)butyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[(1R)-1-(2-pyridyl)butyl]…

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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) 1.69 8.79 -11.12 0 4 0 50 304.415 4 ↓
Lo Low (pH 4.5-6) 1.69 8.87 -36.06 1 4 1 52 305.423 4 ↓

Analogs

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Popular Name: (5R)-3-[(1S)-1-(2-pyridyl)butyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(1S)-1-(2-pyridyl)butyl]…

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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) 1.69 8.78 -10.45 0 4 0 50 304.415 4 ↓
Lo Low (pH 4.5-6) 1.69 8.86 -35.41 1 4 1 52 305.423 4 ↓

Analogs

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Popular Name: (5R)-3-[(1R)-1-(2-pyridyl)butyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(1R)-1-(2-pyridyl)butyl]…

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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) 1.69 8.79 -10.23 0 4 0 50 304.415 4 ↓
Lo Low (pH 4.5-6) 1.69 8.86 -36.24 1 4 1 52 305.423 4 ↓

Analogs

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Popular Name: (5S)-3-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[(2R)-2-hydroxy-3-(3-nitr…

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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) 0.82 5.57 -18.7 1 8 0 113 366.395 6 ↓

Analogs

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Popular Name: (5S)-3-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[(2S)-2-hydroxy-3-(3-nitr…

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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) 0.82 5.63 -18.4 1 8 0 113 366.395 6 ↓

Analogs

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Popular Name: (5R)-3-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(2R)-2-hydroxy-3-(3-nitr…

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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) 0.82 5.57 -17.37 1 8 0 113 366.395 6 ↓

Analogs

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Popular Name: (5R)-3-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(2S)-2-hydroxy-3-(3-nitr…

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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) 0.82 5.62 -17.1 1 8 0 113 366.395 6 ↓

Analogs

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Popular Name: (5S)-3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[(2R)-3-[(4-chlorophenyl)…

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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) 1.46 5.85 -13.17 1 5 0 67 369.87 6 ↓

Analogs

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Popular Name: (5S)-3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[(2S)-3-[(4-chlorophenyl)…

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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) 1.46 5.91 -12.93 1 5 0 67 369.87 6 ↓

Analogs

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Popular Name: (5R)-3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(2R)-3-[(4-chlorophenyl)…

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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) 1.46 5.85 -12.02 1 5 0 67 369.87 6 ↓

Analogs

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Popular Name: (5R)-3-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(2S)-3-[(4-chlorophenyl)…

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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) 1.46 5.91 -11.71 1 5 0 67 369.87 6 ↓

Analogs

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Popular Name: (5S)-3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[[methyl(thiazol-4-ylmeth…

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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) 0.43 3.93 -12.06 0 5 0 54 311.432 4 ↓
Lo Low (pH 4.5-6) 0.43 6.39 -39 1 5 1 55 312.44 4 ↓

Analogs

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Popular Name: (5R)-3-[[methyl(thiazol-4-ylmethyl)amino]methyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[[methyl(thiazol-4-ylmeth…

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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) 0.43 3.93 -11.1 0 5 0 54 311.432 4 ↓
Lo Low (pH 4.5-6) 0.43 6.38 -39 1 5 1 55 312.44 4 ↓

Parameters Provided:

ring.id = 166938
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 = 166938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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