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Analogs

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Popular Name: (2R,6S)-2-ethyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6S)-2-ethyl-3-oxa-7,10-diaza…

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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 -0.4 -8.43 2 4 0 50 198.266 1 ↓
Mid Mid (pH 6-8) 0.38 0.78 -47.59 3 4 1 55 199.274 1 ↓

Analogs

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Popular Name: (2S,6S)-2-ethyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6S)-2-ethyl-3-oxa-7,10-diaza…

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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 -0.61 -7.05 2 4 0 50 198.266 1 ↓
Mid Mid (pH 6-8) 0.38 0.55 -48.33 3 4 1 55 199.274 1 ↓

Analogs

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Popular Name: (2R,6R)-2-ethyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6R)-2-ethyl-3-oxa-7,10-diaza…

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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 -0.6 -6.94 2 4 0 50 198.266 1 ↓
Mid Mid (pH 6-8) 0.38 0.54 -48.12 3 4 1 55 199.274 1 ↓

Analogs

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Popular Name: (2S,6R)-2-ethyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6R)-2-ethyl-3-oxa-7,10-diaza…

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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 -0.4 -8.48 2 4 0 50 198.266 1 ↓
Mid Mid (pH 6-8) 0.38 0.77 -47.53 3 4 1 55 199.274 1 ↓

Analogs

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Popular Name: (6S)-2,2-dimethyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (6S)-2,2-dimethyl-3-oxa-7,10-dia…

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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) 0.32 -0.88 -6.93 2 4 0 50 198.266 0 ↓
Mid Mid (pH 6-8) 0.32 0.34 -47.97 3 4 1 55 199.274 0 ↓

Analogs

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Popular Name: (6R)-2,2-dimethyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (6R)-2,2-dimethyl-3-oxa-7,10-dia…

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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) 0.32 -0.68 -6.57 2 4 0 50 198.266 0 ↓
Mid Mid (pH 6-8) 0.32 0.46 -48.87 3 4 1 55 199.274 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-2-propyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6S)-2-propyl-3-oxa-7,10-diaz…

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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 0.38 -8.43 2 4 0 50 212.293 2 ↓
Mid Mid (pH 6-8) 0.94 1.56 -47.98 3 4 1 55 213.301 2 ↓

Analogs

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Popular Name: (2S,6S)-2-propyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6S)-2-propyl-3-oxa-7,10-diaz…

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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 0.16 -6.98 2 4 0 50 212.293 2 ↓
Mid Mid (pH 6-8) 0.94 1.32 -48.28 3 4 1 55 213.301 2 ↓

Analogs

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Popular Name: (2R,6R)-2-propyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6R)-2-propyl-3-oxa-7,10-diaz…

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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 0.17 -6.88 2 4 0 50 212.293 2 ↓
Mid Mid (pH 6-8) 0.94 1.31 -48.07 3 4 1 55 213.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-propyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6R)-2-propyl-3-oxa-7,10-diaz…

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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 0.38 -8.45 2 4 0 50 212.293 2 ↓
Mid Mid (pH 6-8) 0.94 1.55 -47.86 3 4 1 55 213.301 2 ↓

Analogs

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Popular Name: (2S,6S)-2-isopropyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6S)-2-isopropyl-3-oxa-7,10-d…

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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 0.13 -8.37 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.62 1.3 -47.68 3 4 1 55 213.301 1 ↓

Analogs

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Popular Name: (2R,6S)-2-isopropyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6S)-2-isopropyl-3-oxa-7,10-d…

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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 -0.02 -6.84 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.62 1.14 -48.42 3 4 1 55 213.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-isopropyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6R)-2-isopropyl-3-oxa-7,10-d…

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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 -0.08 -6.86 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.62 1.07 -48.39 3 4 1 55 213.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-isopropyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6R)-2-isopropyl-3-oxa-7,10-d…

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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 0.2 -8.17 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.62 1.38 -47.69 3 4 1 55 213.301 1 ↓

Analogs

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Popular Name: (2R,6S)-2-ethyl-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6S)-2-ethyl-2-methyl-3-oxa-7…

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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) 0.82 0.3 -8.28 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.82 1.31 -46.56 3 4 1 55 213.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-ethyl-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6S)-2-ethyl-2-methyl-3-oxa-7…

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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) 0.82 -0.16 -6.7 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.82 1.03 -48.03 3 4 1 55 213.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-ethyl-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6R)-2-ethyl-2-methyl-3-oxa-7…

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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) 0.82 0.01 -6.37 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.82 1.14 -48.85 3 4 1 55 213.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-ethyl-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6R)-2-ethyl-2-methyl-3-oxa-7…

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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) 0.82 0.24 -8.28 2 4 0 50 212.293 1 ↓
Mid Mid (pH 6-8) 0.82 1.43 -46.82 3 4 1 55 213.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6S)-2-methyl-3-oxa-7,10-diaz…

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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) -0.13 -1.22 -8.66 2 4 0 50 184.239 0 ↓
Mid Mid (pH 6-8) -0.13 -0.04 -47.5 3 4 1 55 185.247 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6S)-2-methyl-3-oxa-7,10-diaz…

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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) -0.13 -1.44 -7.2 2 4 0 50 184.239 0 ↓
Mid Mid (pH 6-8) -0.13 -0.28 -48.19 3 4 1 55 185.247 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2R,6R)-2-methyl-3-oxa-7,10-diaz…

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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) -0.13 -1.43 -7.14 2 4 0 50 184.239 0 ↓
Mid Mid (pH 6-8) -0.13 -0.29 -48.1 3 4 1 55 185.247 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-methyl-3-oxa-7,10-diazaspiro[5.5]undecan-11-one (2S,6R)-2-methyl-3-oxa-7,10-diaz…

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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) -0.13 -1.22 -8.7 2 4 0 50 184.239 0 ↓
Mid Mid (pH 6-8) -0.13 -0.05 -47.52 3 4 1 55 185.247 0 ↓

Parameters Provided:

ring.id = 493237
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 = 493237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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