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Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-1-methyl-4-oxo-6-(1-piperidylsulfonyl)quinoline-3-carboxamide N-(2,2-dimethoxyethyl)-1-methyl-…

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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) 0.20 5.23 -34.35 1 9 0 107 437.518 7 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-N,1-dimethyl-6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinoline-3-carboxamide N-(2,2-dimethoxyethyl)-N,1-dimet…

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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) 0.22 6.71 -36.39 0 9 0 98 465.572 7 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-1-methyl-6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinoline-3-carboxamide N-(2,2-dimethoxyethyl)-1-methyl-…

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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) 0.44 5.82 -34.18 1 9 0 107 451.545 7 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-methyl-4-oxo-quinoline-3-car N-(2,2-dimethoxyethyl)-6-[[(3R,5…

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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) 0.92 6.43 -34.41 1 9 0 107 465.572 7 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-methyl-4-oxo-quinoline-3-car N-(2,2-dimethoxyethyl)-6-[[(3R,5…

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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) 0.92 6.41 -33.87 1 9 0 107 465.572 7 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-methyl-4-oxo-quinoline-3-car N-(2,2-dimethoxyethyl)-6-[[(3S,5…

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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) 0.92 6.42 -33.85 1 9 0 107 465.572 7 ↓

Analogs

9725406
9725406
9725501
9725501

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Popular Name: 6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-isopentyl-1-methyl-4-oxo-quinoline-3-carboxamide 6-[[(3R,5R)-3,5-dimethyl-1-piper…

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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) 2.63 9.41 -37.32 1 7 0 88 447.601 6 ↓

Analogs

9725406
9725406
9725501
9725501

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Popular Name: 6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-isopentyl-1-methyl-4-oxo-quinoline-3-carboxamide 6-[[(3S,5S)-3,5-dimethyl-1-piper…

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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) 2.63 9.41 -37.74 1 7 0 88 447.601 6 ↓

Analogs

8877718
8877718
8597127
8597127

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Popular Name: N-butyl-1-ethyl-N-methyl-4-oxo-6-(1-piperidylsulfonyl)quinoline-3-carboxamide N-butyl-1-ethyl-N-methyl-4-oxo-6…

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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) 1.85 9.2 -28.05 0 7 0 80 433.574 7 ↓

Analogs

9730881
9730881

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Popular Name: 1-ethyl-6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-N-sec-butyl-quinoline-3-carboxamide 1-ethyl-6-[(4-methyl-1-piperidyl…

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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 9.31 -36.22 1 7 0 88 433.574 6 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-N-methyl-4-oxo-quinoli N-(2,2-dimethoxyethyl)-6-[[(3S,5…

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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) 1.07 8.14 -35.59 0 9 0 98 493.626 8 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-N-methyl-4-oxo-quinoli N-(2,2-dimethoxyethyl)-6-[[(3R,5…

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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) 1.07 8.75 -36.02 0 9 0 98 493.626 8 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-N-methyl-4-oxo-quinoli N-(2,2-dimethoxyethyl)-6-[[(3S,5…

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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) 1.07 8.08 -34.37 0 9 0 98 493.626 8 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-4-oxo-quinoline-3-carb N-(2,2-dimethoxyethyl)-6-[[(3S,5…

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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) 1.29 7.22 -33.07 1 9 0 107 479.599 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-4-oxo-quinoline-3-carb N-(2,2-dimethoxyethyl)-6-[[(3R,5…

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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) 1.29 7.18 -32.48 1 9 0 107 479.599 8 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-4-oxo-quinoline-3-carb N-(2,2-dimethoxyethyl)-6-[[(3S,5…

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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) 1.29 7.18 -32.39 1 9 0 107 479.599 8 ↓

Analogs

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Popular Name: 1-allyl-N-(2,2-dimethoxyethyl)-6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinoline-3-carboxamide 1-allyl-N-(2,2-dimethoxyethyl)-6…

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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) 1.09 7.19 -32.25 1 9 0 107 477.583 9 ↓

Analogs

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Popular Name: 1-allyl-N-butyl-6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinoline-3-carboxamide 1-allyl-N-butyl-6-[(4-methyl-1-p…

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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) 2.58 9.68 -35.52 1 7 0 88 445.585 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-1-ethyl-6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinoline-3-carboxamide N-(2,2-dimethoxyethyl)-1-ethyl-6…

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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 -22.44 1 9 0 107 465.572 8 ↓

Parameters Provided:

ring.id = 69366
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 = 69366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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