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Analogs

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Popular Name: (5R,9R)-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-ol (5R,9R)-2,2-dioxo-6-oxa-2$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) -0.36 -2.49 -13.46 1 4 0 64 206.263 0 ↓

Analogs

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Popular Name: (5S,9R)-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-ol (5S,9R)-2,2-dioxo-6-oxa-2$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) -0.36 -2.48 -12.05 1 4 0 64 206.263 0 ↓

Analogs

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Popular Name: (5R,9S)-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-ol (5R,9S)-2,2-dioxo-6-oxa-2$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) -0.36 -2.51 -12.61 1 4 0 64 206.263 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,9S)-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-ol (5S,9S)-2,2-dioxo-6-oxa-2$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) -0.36 -2.49 -12.96 1 4 0 64 206.263 0 ↓

Analogs

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Popular Name: 9-amino-6-oxa-2$l^{6}-thiaspiro[4.5]decane-2,2-dione 9-amino-6-oxa-2$l^{6}-thiaspiro[…

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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) -0.85 -1.91 -63.31 3 4 1 71 206.287 0 ↓

Analogs

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Popular Name: 9-amino-6-oxa-2$l^{6}-thiaspiro[4.5]decane-2,2-dione 9-amino-6-oxa-2$l^{6}-thiaspiro[…

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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) -0.85 -1.92 -58.04 3 4 1 71 206.287 0 ↓

Analogs

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Popular Name: 9-amino-6-oxa-2$l^{6}-thiaspiro[4.5]decane-2,2-dione 9-amino-6-oxa-2$l^{6}-thiaspiro[…

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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) -0.85 -1.93 -61.1 3 4 1 71 206.287 0 ↓

Analogs

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Popular Name: 9-amino-6-oxa-2$l^{6}-thiaspiro[4.5]decane-2,2-dione 9-amino-6-oxa-2$l^{6}-thiaspiro[…

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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) -0.85 -1.92 -59.15 3 4 1 71 206.287 0 ↓

Analogs

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Popular Name: (5S,9R)-N-methyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5S,9R)-N-methyl-2,2-dioxo-6-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) 0.06 -0.22 -52.7 2 4 1 60 220.314 1 ↓

Analogs

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Popular Name: (5S,9S)-N-methyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5S,9S)-N-methyl-2,2-dioxo-6-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) 0.06 -0.22 -53.8 2 4 1 60 220.314 1 ↓

Analogs

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Popular Name: (5R,9R)-N-methyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5R,9R)-N-methyl-2,2-dioxo-6-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) 0.06 -0.22 -57.69 2 4 1 60 220.314 1 ↓

Analogs

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Popular Name: (5R,9S)-N-methyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5R,9S)-N-methyl-2,2-dioxo-6-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) 0.06 -0.23 -55.64 2 4 1 60 220.314 1 ↓

Analogs

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Popular Name: (5S,9R)-N-ethyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5S,9R)-N-ethyl-2,2-dioxo-6-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) 0.44 0.62 -51.63 2 4 1 60 234.341 2 ↓

Analogs

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Popular Name: (5S,9S)-N-ethyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5S,9S)-N-ethyl-2,2-dioxo-6-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) 0.44 0.62 -52.87 2 4 1 60 234.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,9R)-N-ethyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5R,9R)-N-ethyl-2,2-dioxo-6-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) 0.44 0.64 -56.67 2 4 1 60 234.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,9S)-N-ethyl-2,2-dioxo-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5R,9S)-N-ethyl-2,2-dioxo-6-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) 0.44 0.63 -54.54 2 4 1 60 234.341 2 ↓

Analogs

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Popular Name: (5S,9R)-2,2-dioxo-N-propyl-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5S,9R)-2,2-dioxo-N-propyl-6-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) 0.94 1.4 -52.65 2 4 1 60 248.368 3 ↓

Analogs

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Popular Name: (5S,9S)-2,2-dioxo-N-propyl-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5S,9S)-2,2-dioxo-N-propyl-6-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) 0.94 1.38 -53.84 2 4 1 60 248.368 3 ↓

Analogs

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Popular Name: (5R,9R)-2,2-dioxo-N-propyl-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5R,9R)-2,2-dioxo-N-propyl-6-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) 0.94 1.4 -57.72 2 4 1 60 248.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,9S)-2,2-dioxo-N-propyl-6-oxa-2$l^{6}-thiaspiro[4.5]decan-9-amine (5R,9S)-2,2-dioxo-N-propyl-6-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) 0.94 1.39 -55.57 2 4 1 60 248.368 3 ↓

Analogs

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Popular Name: (5S,9R)-9-chloro-6-oxa-2$l^{6}-thiaspiro[4.5]decane (5S,9R)-9-chloro-6-oxa-2$l^{6}-t…

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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) 0.88 1.39 -12.54 0 3 0 43 224.709 0 ↓

Analogs

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Popular Name: (5R,9R)-9-chloro-6-oxa-2$l^{6}-thiaspiro[4.5]decane (5R,9R)-9-chloro-6-oxa-2$l^{6}-t…

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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) 0.88 1.4 -11.21 0 3 0 43 224.709 0 ↓

Analogs

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Popular Name: (5S,9S)-9-chloro-6-oxa-2$l^{6}-thiaspiro[4.5]decane (5S,9S)-9-chloro-6-oxa-2$l^{6}-t…

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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) 0.88 1.37 -11.98 0 3 0 43 224.709 0 ↓

Analogs

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Popular Name: (5R,9S)-9-chloro-6-oxa-2$l^{6}-thiaspiro[4.5]decane (5R,9S)-9-chloro-6-oxa-2$l^{6}-t…

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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) 0.88 1.39 -11.93 0 3 0 43 224.709 0 ↓

Parameters Provided:

ring.id = 480751
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 = 480751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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