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Analogs

4231174
4231174

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Popular Name: N-benzyl-N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide N-benzyl-N-[(7-keto-3,6-dihydro-…

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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) 1.14 -0.88 -16.33 1 6 0 71 364.401 4 ↓

Analogs

4231174
4231174

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Popular Name: N-benzyl-N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propionamide N-benzyl-N-[(7-keto-3,6-dihydro-…

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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 -0.69 -15.72 1 6 0 71 378.428 5 ↓

Analogs

4231174
4231174

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Popular Name: N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(4-methylbenzyl)acetamide N-[(7-keto-3,6-dihydro-2H-[1,4]d…

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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) 1.58 -0.43 -15.92 1 6 0 71 378.428 4 ↓

Analogs

4231174
4231174

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Popular Name: N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(4-methylbenzyl)propionamide N-[(7-keto-3,6-dihydro-2H-[1,4]d…

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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) 2.42 -0.37 -15.8 1 6 0 71 392.455 5 ↓

Analogs

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Popular Name: N-(4-chlorobenzyl)-N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide N-(4-chlorobenzyl)-N-[(7-keto-3,…

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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) 1.81 -0.42 -22.38 1 6 0 71 398.846 4 ↓

Analogs

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Popular Name: N-(4-chlorobenzyl)-2,2,2-trifluoro-N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl N-(4-chlorobenzyl)-2,2,2-trifluo…

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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) 2.70 0.5 -17.42 1 6 0 71 452.816 5 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide N-(2-chlorobenzyl)-N-[(7-keto-3,…

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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) 1.77 -1.14 -18.05 1 6 0 71 398.846 4 ↓

Analogs

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Popular Name: N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-p-anisyl-acetamide N-[(7-keto-3,6-dihydro-2H-[1,4]d…

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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) 1.19 -0.73 -16.62 1 7 0 80 394.427 5 ↓

Analogs

4231174
4231174

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Popular Name: N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-p-anisyl-propionamide N-[(7-keto-3,6-dihydro-2H-[1,4]d…

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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) 2.03 -0.67 -16.57 1 7 0 80 408.454 6 ↓

Analogs

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Popular Name: N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-o-anisyl-acetamide N-[(7-keto-3,6-dihydro-2H-[1,4]d…

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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) 1.15 -0.38 -11.28 1 7 0 80 394.427 5 ↓

Analogs

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Popular Name: N-(4-fluorobenzyl)-N-[(7-keto-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide N-(4-fluorobenzyl)-N-[(7-keto-3,…

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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) 1.30 0.47 -23.18 1 6 0 71 382.391 4 ↓

Parameters Provided:

ring.id = 225005
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 = 225005 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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