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Analogs

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Popular Name: (6R,10R)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-ol (6R,10R)-4,4-dioxo-7-oxa-4$l^{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) -0.08 -0.78 -12.29 1 4 0 64 220.29 0 ↓

Analogs

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Popular Name: (6S,10R)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-ol (6S,10R)-4,4-dioxo-7-oxa-4$l^{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) -0.08 -0.89 -14.76 1 4 0 64 220.29 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10S)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-ol (6R,10S)-4,4-dioxo-7-oxa-4$l^{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) -0.08 -0.89 -14.77 1 4 0 64 220.29 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10S)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-ol (6S,10S)-4,4-dioxo-7-oxa-4$l^{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) -0.08 -0.78 -12.29 1 4 0 64 220.29 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10R)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-amine (6R,10R)-4,4-dioxo-7-oxa-4$l^{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) -0.58 -0.21 -59.15 3 4 1 71 220.314 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10R)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-amine (6S,10R)-4,4-dioxo-7-oxa-4$l^{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) -0.58 -0.32 -61.71 3 4 1 71 220.314 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10S)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-amine (6R,10S)-4,4-dioxo-7-oxa-4$l^{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) -0.58 -0.32 -61.7 3 4 1 71 220.314 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10S)-4,4-dioxo-7-oxa-4$l^{6}-thiaspiro[5.5]undecan-10-amine (6S,10S)-4,4-dioxo-7-oxa-4$l^{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) -0.58 -0.21 -59.14 3 4 1 71 220.314 0 ↓

Analogs

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Popular Name: (4R,6R)-N-methyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4R,6R)-N-methyl-8,8-dioxo-1-oxa…

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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) 0.33 1.48 -53.82 2 4 1 60 234.341 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R)-N-methyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4S,6R)-N-methyl-8,8-dioxo-1-oxa…

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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) 0.33 1.38 -56.29 2 4 1 60 234.341 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S)-N-methyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4R,6S)-N-methyl-8,8-dioxo-1-oxa…

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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) 0.33 1.38 -56.31 2 4 1 60 234.341 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-N-methyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4S,6S)-N-methyl-8,8-dioxo-1-oxa…

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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) 0.33 1.48 -53.83 2 4 1 60 234.341 1 ↓

Analogs

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Popular Name: (4R,6R)-N-ethyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4R,6R)-N-ethyl-8,8-dioxo-1-oxa-…

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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) 0.71 2.34 -52.61 2 4 1 60 248.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R)-N-ethyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4S,6R)-N-ethyl-8,8-dioxo-1-oxa-…

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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) 0.71 2.22 -55.26 2 4 1 60 248.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S)-N-ethyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4R,6S)-N-ethyl-8,8-dioxo-1-oxa-…

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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) 0.71 2.22 -55.33 2 4 1 60 248.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-N-ethyl-8,8-dioxo-1-oxa-8$l^{6}-thiaspiro[5.5]undecan-4-amine (4S,6S)-N-ethyl-8,8-dioxo-1-oxa-…

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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) 0.71 2.34 -52.61 2 4 1 60 248.368 2 ↓

Analogs

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Popular Name: (6R,10R)-10-chloro-7-oxa-4$l^{6}-thiaspiro[5.5]undecane (6R,10R)-10-chloro-7-oxa-4$l^{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) 1.15 3.08 -11.45 0 3 0 43 238.736 0 ↓

Analogs

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Popular Name: (6S,10R)-10-chloro-7-oxa-4$l^{6}-thiaspiro[5.5]undecane (6S,10R)-10-chloro-7-oxa-4$l^{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) 1.15 2.99 -13.59 0 3 0 43 238.736 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,10S)-10-chloro-7-oxa-4$l^{6}-thiaspiro[5.5]undecane (6R,10S)-10-chloro-7-oxa-4$l^{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) 1.15 2.99 -13.59 0 3 0 43 238.736 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,10S)-10-chloro-7-oxa-4$l^{6}-thiaspiro[5.5]undecane (6S,10S)-10-chloro-7-oxa-4$l^{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) 1.15 3.09 -11.5 0 3 0 43 238.736 0 ↓

Parameters Provided:

ring.id = 480763
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 = 480763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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