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Analogs

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Popular Name: 4-(3,5-dioxomorpholin-4-yl)cyclohexanecarboxylic 4-(3,5-dioxomorpholin-4-yl)cyclo…

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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) -0.62 3.78 -52.7 0 6 -1 87 240.235 2 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)cyclohexanecarboxylic 1-(3,5-dioxomorpholin-4-yl)cyclo…

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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) -1.93 3.84 -54.1 0 6 -1 87 240.235 2 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)-4-methyl-cyclohexanecarboxylic 1-(3,5-dioxomorpholin-4-yl)-4-me…

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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) -2.15 4.44 -54.25 0 6 -1 87 254.262 2 ↓

Analogs

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Popular Name: (1R,3R)-1-(3,5-dioxomorpholin-4-yl)-3-methyl-cyclohexanecarboxylic (1R,3R)-1-(3,5-dioxomorpholin-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) -1.92 4.43 -54.46 0 6 -1 87 254.262 2 ↓

Analogs

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Popular Name: (1R,3S)-1-(3,5-dioxomorpholin-4-yl)-3-methyl-cyclohexanecarboxylic (1R,3S)-1-(3,5-dioxomorpholin-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) -1.92 4.38 -54.39 0 6 -1 87 254.262 2 ↓

Analogs

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Popular Name: (1S,3R)-1-(3,5-dioxomorpholin-4-yl)-3-methyl-cyclohexanecarboxylic (1S,3R)-1-(3,5-dioxomorpholin-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) -1.92 4.38 -54.39 0 6 -1 87 254.262 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-(3,5-dioxomorpholin-4-yl)-3-methyl-cyclohexanecarboxylic (1S,3S)-1-(3,5-dioxomorpholin-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) -1.92 4.43 -54.49 0 6 -1 87 254.262 2 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)-4-ethyl-cyclohexanecarboxylic 1-(3,5-dioxomorpholin-4-yl)-4-et…

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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) -1.47 5.45 -51.93 0 6 -1 87 268.289 3 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)-4-methyl-cyclohexanecarbonitrile 1-(3,5-dioxomorpholin-4-yl)-4-me…

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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) 0.36 3.92 -8.64 0 5 0 70 236.271 1 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)-4-ethyl-cyclohexanecarbonitrile 1-(3,5-dioxomorpholin-4-yl)-4-et…

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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) 1.05 4.2 -11.98 0 5 0 70 250.298 2 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)cyclohexanecarbothioamide 1-(3,5-dioxomorpholin-4-yl)cyclo…

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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) -0.28 2.09 -11.11 2 5 0 73 256.327 2 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)-4-methyl-cyclohexanecarbothioamide 1-(3,5-dioxomorpholin-4-yl)-4-me…

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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) -0.51 2.67 -10.95 2 5 0 73 270.354 2 ↓

Analogs

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Popular Name: 1-(3,5-dioxomorpholin-4-yl)-4-ethyl-cyclohexanecarbothioamide 1-(3,5-dioxomorpholin-4-yl)-4-et…

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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) 0.18 3.08 -10.79 2 5 0 73 284.381 3 ↓

Analogs

41044349
41044349
41044350
41044350

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Popular Name: 4-[4-(ethylamino)cyclohexyl]morpholine-3,5-dione 4-[4-(ethylamino)cyclohexyl]morp…

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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) -0.09 3.04 -39.98 2 5 1 63 241.311 3 ↓

Analogs

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Popular Name: 4-[4-(propylamino)cyclohexyl]morpholine-3,5-dione 4-[4-(propylamino)cyclohexyl]mor…

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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) 0.41 3.37 -38.37 2 5 1 63 255.338 4 ↓

Parameters Provided:

ring.id = 520174
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 = 520174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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