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Analogs

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Popular Name: (2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S,6R)-2,6-dimethylmor…

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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) 1.36 4.37 -6.45 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.36 6.17 -40.38 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S,6S)-2,6-dimethylmor…

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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) 1.36 4.65 -5.57 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.36 6.13 -39.41 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2R,6R)-2,6-dimethylmor…

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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) 1.36 4.52 -5.75 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.36 6.29 -34.07 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2R)-2-methylmorpholin-…

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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) 1.00 3.62 -6.4 0 3 0 30 197.278 2 ↓
Mid Mid (pH 6-8) 1.00 5.44 -40.23 1 3 1 31 198.286 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S)-2-methylmorpholin-…

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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) 1.00 3.49 -6.35 0 3 0 30 197.278 2 ↓
Mid Mid (pH 6-8) 1.00 5.61 -34.1 1 3 1 31 198.286 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(3R)-3-methylmorpholin-…

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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) 0.97 3.12 -5.82 0 3 0 30 197.278 2 ↓
Mid Mid (pH 6-8) 0.97 5.2 -37.56 1 3 1 31 198.286 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(3S)-3-methylmorpholin-…

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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) 0.97 3.33 -6.15 0 3 0 30 197.278 2 ↓
Mid Mid (pH 6-8) 0.97 5.38 -32.2 1 3 1 31 198.286 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2R,5R)-2,5-dimethylmor…

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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) 1.33 3.93 -5.99 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.33 5.94 -32.22 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,5R)-2,5-dimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S,5R)-2,5-dimethylmor…

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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) 1.33 3.9 -5.78 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.33 5.95 -37.7 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-ethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2R)-2-ethylmorpholin-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) 1.50 4.46 -6.19 0 3 0 30 211.305 3 ↓
Mid Mid (pH 6-8) 1.50 6.26 -40.65 1 3 1 31 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-ethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S)-2-ethylmorpholin-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) 1.50 4.33 -6.2 0 3 0 30 211.305 3 ↓
Mid Mid (pH 6-8) 1.50 6.43 -34.62 1 3 1 31 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopentanone (2S)-2-[(2,2-dimethylmorpholin-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) 1.45 4.41 -5.79 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.45 6.2 -33.96 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopentanone (2R)-2-[(2,2-dimethylmorpholin-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) 1.45 4.42 -5.76 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.45 6.2 -33.95 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-ethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(3R)-3-ethylmorpholin-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) 1.50 4.34 -5.36 0 3 0 30 211.305 3 ↓
Mid Mid (pH 6-8) 1.50 5.76 -33.73 1 3 1 31 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(3S)-3-ethylmorpholin-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) 1.50 4.01 -5.95 0 3 0 30 211.305 3 ↓
Mid Mid (pH 6-8) 1.50 6 -32.25 1 3 1 31 212.313 3 ↓

Analogs

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Popular Name: (2S)-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(6R)-2,2,6-trimethylmor…

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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 5.14 -5.89 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.81 6.92 -33.94 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S)-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(6S)-2,2,6-trimethylmor…

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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 4.96 -5.65 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.81 6.77 -39.56 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentanone (2S)-2-[(3,3-dimethylmorpholin-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) 1.45 3.72 -5.9 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.45 5.67 -30.63 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2R)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentanone (2R)-2-[(3,3-dimethylmorpholin-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) 1.45 3.51 -5.42 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.45 5.49 -36.51 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2R,5R)-5-ethyl-2-methy…

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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) 1.86 5.38 -4.65 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.86 6.48 -33.09 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2R,5S)-5-ethyl-2-methy…

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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) 1.86 4.75 -6.1 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.86 6.75 -32.11 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S,5R)-5-ethyl-2-methy…

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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) 1.86 5.09 -5.53 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.86 6.5 -33.85 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cyclopentanone (2S)-2-[[(2S,5S)-5-ethyl-2-methy…

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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) 1.86 5.02 -5.27 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.86 6.71 -32.07 1 3 1 31 226.34 3 ↓

Parameters Provided:

ring.id = 115293
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 = 115293 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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