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Analogs

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Popular Name: (4-amino-1-piperidyl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone (4-amino-1-piperidyl)-(2,3-dihyd…

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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) -0.95 0.79 -54.1 3 5 1 66 213.257 1 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(2,3-dihydro-1,4-dioxine-5-car…

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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) 0.04 4.36 -52.3 0 6 -1 79 254.262 2 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(2,3-dihydro-1,4-dioxine-5-car…

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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) 0.38 4.8 -51.01 0 6 -1 79 268.289 3 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(2,3-dihydro-1,4-dioxine-5-car…

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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) 0.94 5.61 -52.13 0 6 -1 79 282.316 4 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.04 4.78 -53.08 0 6 -1 79 254.262 2 ↓

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.04 4.8 -52.82 0 6 -1 79 254.262 2 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.38 5.26 -51.16 0 6 -1 79 268.289 3 ↓

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.38 5.29 -50.92 0 6 -1 79 268.289 3 ↓

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.94 6.01 -51.56 0 6 -1 79 282.316 4 ↓

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(2,3-dihydro-1,4-dioxine-…

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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) 0.94 6.04 -51.2 0 6 -1 79 282.316 4 ↓

Analogs

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Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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) -0.48 1.2 -48.78 3 5 1 66 227.284 1 ↓
Hi High (pH 8-9.5) -0.48 1.34 -9.51 2 5 0 65 226.276 1 ↓

Analogs

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Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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) -0.48 1.42 -48.97 3 5 1 66 227.284 1 ↓
Hi High (pH 8-9.5) -0.48 1.12 -9.28 2 5 0 65 226.276 1 ↓

Analogs

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Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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) -0.48 1.43 -54.08 3 5 1 66 227.284 1 ↓
Hi High (pH 8-9.5) -0.48 1.17 -9.54 2 5 0 65 226.276 1 ↓

Analogs

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Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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) -0.48 1.21 -53.95 3 5 1 66 227.284 1 ↓
Hi High (pH 8-9.5) -0.48 1.55 -8.39 2 5 0 65 226.276 1 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone [4-(2-aminoethyl)-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) -0.19 2.17 -54.51 3 5 1 66 241.311 3 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-dioxin-5-yl-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone 2,3-dihydro-1,4-dioxin-5-yl-[4-[…

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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) 0.79 4.04 -49.75 2 5 1 55 255.338 4 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-dioxin-5-yl-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone 2,3-dihydro-1,4-dioxin-5-yl-[(2S…

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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) 0.73 4.17 -39.12 2 5 1 55 255.338 4 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-dioxin-5-yl-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone 2,3-dihydro-1,4-dioxin-5-yl-[(2R…

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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) 0.73 4.16 -39.07 2 5 1 55 255.338 4 ↓

Parameters Provided:

ring.id = 109865
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 = 109865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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