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Analogs

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Popular Name: (4R)-N-[(4-ethylthiazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (4R)-N-[(4-ethylthiazol-2-yl)met…

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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 5.93 -15.46 1 5 0 68 308.403 4 ↓

Analogs

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Popular Name: (4S)-N-[(4-ethylthiazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (4S)-N-[(4-ethylthiazol-2-yl)met…

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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 5.71 -16.91 1 5 0 68 308.403 4 ↓

Analogs

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Popular Name: (1R,4R,5R,8R)-1-isopropenyl-8-isopropyl-4-methyl-6-oxaspiro[4.4]nonan-7-one (1R,4R,5R,8R)-1-isopropenyl-8-is…

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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) 3.64 9.21 -7.03 0 2 0 26 236.355 2 ↓

Analogs

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Popular Name: (1R,4S,5R,8R)-1-isopropenyl-8-isopropyl-4-methyl-6-oxaspiro[4.4]nonan-7-one (1R,4S,5R,8R)-1-isopropenyl-8-is…

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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) 3.64 9.1 -7.25 0 2 0 26 236.355 2 ↓

Analogs

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Popular Name: (1S,4R,5R,8R)-1-isopropenyl-8-isopropyl-4-methyl-6-oxaspiro[4.4]nonan-7-one (1S,4R,5R,8R)-1-isopropenyl-8-is…

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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) 3.64 8.93 -7.16 0 2 0 26 236.355 2 ↓

Analogs

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Popular Name: (1S,4S,5R,8R)-1-isopropenyl-8-isopropyl-4-methyl-6-oxaspiro[4.4]nonan-7-one (1S,4S,5R,8R)-1-isopropenyl-8-is…

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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) 3.64 8.67 -7.52 0 2 0 26 236.355 2 ↓

Analogs

23369207
23369207

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Popular Name: 4-[5-[(4R)-2-oxo1-oxaspiro[4.4]nonane-4-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-3-yl]benz 4-[5-[(4R)-2-oxo1-oxaspiro[4.4]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 9.61 -24.44 1 7 0 99 390.443 2 ↓

Analogs

23369203
23369203

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Popular Name: 4-[5-[(4S)-2-oxo1-oxaspiro[4.4]nonane-4-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-3-yl]benz 4-[5-[(4S)-2-oxo1-oxaspiro[4.4]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 9.14 -26.71 1 7 0 99 390.443 2 ↓

Analogs

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Popular Name: (4R)-N-allyl-N-[(2-ethoxyphenyl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (4R)-N-allyl-N-[(2-ethoxyphenyl)…

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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) 2.25 11.72 -10.52 0 5 0 56 357.45 7 ↓

Analogs

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Popular Name: (4S)-N-allyl-N-[(2-ethoxyphenyl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (4S)-N-allyl-N-[(2-ethoxyphenyl)…

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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) 2.25 11.7 -14.16 0 5 0 56 357.45 7 ↓

Analogs

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Popular Name: (4R)-N-ethyl-2-oxo-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (4R)-N-ethyl-2-oxo-N-[(5-propyl-…

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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) 0.75 6.59 -13.68 0 7 0 86 335.404 6 ↓

Analogs

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Popular Name: (4S)-N-ethyl-2-oxo-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (4S)-N-ethyl-2-oxo-N-[(5-propyl-…

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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) 0.75 6.71 -17.34 0 7 0 86 335.404 6 ↓

Analogs

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Popular Name: (4S)-4-[5-cyclopropyl-2-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]-1-oxaspiro[4.4]nonan-2-one (4S)-4-[5-cyclopropyl-2-(2,3-dim…

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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) 2.06 12.61 -9.66 0 5 0 57 351.45 3 ↓

Analogs

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Popular Name: (4R)-4-[5-cyclopropyl-2-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]-1-oxaspiro[4.4]nonan-2-one (4R)-4-[5-cyclopropyl-2-(2,3-dim…

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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) 2.06 12.47 -9.91 0 5 0 57 351.45 3 ↓

Analogs

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Popular Name: (4R)-N-(3-amino-3-oxo-propyl)-N-isopropyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (4R)-N-(3-amino-3-oxo-propyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.51 4.16 -14.49 2 6 0 90 296.367 5 ↓

Analogs

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Popular Name: (4S)-N-(3-amino-3-oxo-propyl)-N-isopropyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (4S)-N-(3-amino-3-oxo-propyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.51 4.13 -16.32 2 6 0 90 296.367 5 ↓

Parameters Provided:

ring.id = 22694
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 = 22694 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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