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Popular Name: (3S)-4-(4-methoxybenzoyl)-8-propanoyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5 (3S)-4-(4-methoxybenzoyl)-8-prop…

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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) 0.95 4.36 -18.7 1 9 0 97 459.543 6 ↓

Analogs

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Popular Name: (3R)-4-(4-methoxybenzoyl)-8-propanoyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5 (3R)-4-(4-methoxybenzoyl)-8-prop…

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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) 0.95 4.24 -15.94 1 9 0 97 459.543 6 ↓

Analogs

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Popular Name: (3S)-4-(4-methoxybenzoyl)-8-propanoyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5 (3S)-4-(4-methoxybenzoyl)-8-prop…

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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) 0.95 4.51 -18.13 1 9 0 97 459.543 6 ↓

Analogs

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Popular Name: (3R)-4-(4-methoxybenzoyl)-8-propanoyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5 (3R)-4-(4-methoxybenzoyl)-8-prop…

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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) 0.95 4.25 -15.98 1 9 0 97 459.543 6 ↓

Analogs

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Popular Name: (3S)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[ (3S)-4-benzoyl-8-(2,2-dimethylpr…

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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) 1.72 5.55 -19.67 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3R)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[ (3R)-4-benzoyl-8-(2,2-dimethylpr…

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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) 1.72 5.47 -15.85 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3S)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[ (3S)-4-benzoyl-8-(2,2-dimethylpr…

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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) 1.72 5.56 -15.3 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3R)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[ (3R)-4-benzoyl-8-(2,2-dimethylpr…

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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) 1.72 5.52 -16.67 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3S)-4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diaza (3S)-4-(2-methylbenzoyl)-8-(2-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) 1.54 5.65 -15.09 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3R)-4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diaza (3R)-4-(2-methylbenzoyl)-8-(2-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) 1.54 5.75 -16.58 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3S)-4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diaza (3S)-4-(2-methylbenzoyl)-8-(2-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) 1.54 5.69 -14.18 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3R)-4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diaza (3R)-4-(2-methylbenzoyl)-8-(2-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) 1.54 5.8 -17.43 1 8 0 88 457.571 5 ↓

Analogs

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Popular Name: (3S)-4-(2-methylbenzoyl)-8-propanoyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5] (3S)-4-(2-methylbenzoyl)-8-propa…

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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) 1.30 5.32 -15.23 1 8 0 88 443.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(2-methylbenzoyl)-8-propanoyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5] (3R)-4-(2-methylbenzoyl)-8-propa…

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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) 1.30 5.32 -14.32 1 8 0 88 443.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2-methylbenzoyl)-8-propanoyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5] (3S)-4-(2-methylbenzoyl)-8-propa…

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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) 1.30 5.34 -16.87 1 8 0 88 443.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(2-methylbenzoyl)-8-propanoyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5] (3R)-4-(2-methylbenzoyl)-8-propa…

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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) 1.30 5.36 -14.92 1 8 0 88 443.544 5 ↓

Parameters Provided:

ring.id = 21018
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 = 21018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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