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Popular Name: 6-[(S)-amino-[(2R)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-[(2R)-1,4-dioxan-2-…

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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) -1.70 3.63 -54.71 3 5 1 66 277.344 2 ↓
Mid Mid (pH 6-8) -1.70 3.31 -9.02 2 5 0 65 276.336 2 ↓

Analogs

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Popular Name: 6-[(R)-amino-[(2R)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-[(2R)-1,4-dioxan-2-…

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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) -1.70 3.45 -57.34 3 5 1 66 277.344 2 ↓
Mid Mid (pH 6-8) -1.70 3.15 -8.57 2 5 0 65 276.336 2 ↓

Analogs

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Popular Name: 6-[(S)-amino-[(2S)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-[(2S)-1,4-dioxan-2-…

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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) -1.70 3.45 -57.62 3 5 1 66 277.344 2 ↓
Mid Mid (pH 6-8) -1.70 3.13 -9.25 2 5 0 65 276.336 2 ↓

Analogs

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Popular Name: 6-[(R)-amino-[(2S)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-[(2S)-1,4-dioxan-2-…

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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) -1.70 3.66 -54.78 3 5 1 66 277.344 2 ↓
Mid Mid (pH 6-8) -1.70 3.38 -8.59 2 5 0 65 276.336 2 ↓

Analogs

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Popular Name: 6-[(S)-[(2R)-1,4-dioxan-2-yl]-(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-[(2R)-1,4-dioxan-2-yl]-(m…

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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) 0.55 5.31 -49.18 2 5 1 55 291.371 3 ↓
Hi High (pH 8-9.5) 0.55 4.32 -8.58 1 5 0 51 290.363 3 ↓

Analogs

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Popular Name: 6-[(R)-[(2R)-1,4-dioxan-2-yl]-(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-[(2R)-1,4-dioxan-2-yl]-(m…

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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) 0.55 5.13 -51.4 2 5 1 55 291.371 3 ↓
Hi High (pH 8-9.5) 0.55 4 -8.64 1 5 0 51 290.363 3 ↓

Analogs

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Popular Name: 6-[(S)-[(2S)-1,4-dioxan-2-yl]-(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-[(2S)-1,4-dioxan-2-yl]-(m…

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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) 0.55 5.13 -51.57 2 5 1 55 291.371 3 ↓
Hi High (pH 8-9.5) 0.55 4.03 -8.62 1 5 0 51 290.363 3 ↓

Analogs

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Popular Name: 6-[(R)-[(2S)-1,4-dioxan-2-yl]-(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-[(2S)-1,4-dioxan-2-yl]-(m…

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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) 0.55 5.31 -48.94 2 5 1 55 291.371 3 ↓
Hi High (pH 8-9.5) 0.55 4.27 -8.88 1 5 0 51 290.363 3 ↓

Analogs

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Popular Name: 6-[(S)-[(2S)-1,4-dioxan-2-yl]-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-[(2S)-1,4-dioxan-2-yl]-hy…

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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) 0.00 3.4 -9.55 1 5 0 59 277.32 2 ↓

Analogs

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Popular Name: 6-[(R)-[(2S)-1,4-dioxan-2-yl]-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-[(2S)-1,4-dioxan-2-yl]-hy…

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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) 0.00 3 -9.78 1 5 0 59 277.32 2 ↓

Analogs

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Popular Name: 6-[(S)-[(2R)-1,4-dioxan-2-yl]-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-[(2R)-1,4-dioxan-2-yl]-hy…

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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) 0.00 2.97 -9.8 1 5 0 59 277.32 2 ↓

Analogs

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Popular Name: 6-[(R)-[(2R)-1,4-dioxan-2-yl]-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-[(2R)-1,4-dioxan-2-yl]-hy…

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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) 0.00 3.4 -9.55 1 5 0 59 277.32 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro-[(2S)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-[(2S)-1,4-dioxan-2…

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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) 1.37 6.68 -9.67 0 4 0 39 295.766 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro-[(2S)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-[(2S)-1,4-dioxan-2…

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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) 1.37 6.46 -8.56 0 4 0 39 295.766 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro-[(2R)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-[(2R)-1,4-dioxan-2…

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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) 1.37 6.5 -8.65 0 4 0 39 295.766 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro-[(2R)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-[(2R)-1,4-dioxan-2…

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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) 1.37 6.67 -9.71 0 4 0 39 295.766 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo-[(2S)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-[(2S)-1,4-dioxan-2-…

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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) 1.50 6.76 -9.35 0 4 0 39 340.217 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-[(2S)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-[(2S)-1,4-dioxan-2-…

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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) 1.50 6.53 -8.41 0 4 0 39 340.217 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo-[(2R)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-[(2R)-1,4-dioxan-2-…

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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) 1.50 6.58 -8.46 0 4 0 39 340.217 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-[(2R)-1,4-dioxan-2-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-[(2R)-1,4-dioxan-2-…

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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) 1.50 6.76 -9.33 0 4 0 39 340.217 2 ↓

Parameters Provided:

ring.id = 275871
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 = 275871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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