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Analogs

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Popular Name: (3S)-8-(2,6-dimethoxybenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3S)-8-(2,6-dimethoxybenzoyl)-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) -0.69 6.17 -53.47 0 10 -1 122 443.432 5 ↓

Analogs

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Popular Name: (3R)-8-(2,6-dimethoxybenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3R)-8-(2,6-dimethoxybenzoyl)-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) -0.69 6.26 -53.83 0 10 -1 122 443.432 5 ↓

Analogs

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Popular Name: (3S)-8-(2-chlorobenzoyl)-4-(furan-2-carbonyl)-N-isopropyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxam (3S)-8-(2-chlorobenzoyl)-4-(fura…

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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) 1.91 6.87 -17.32 1 8 0 92 459.93 4 ↓

Analogs

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Popular Name: (3R)-8-(2-chlorobenzoyl)-4-(furan-2-carbonyl)-N-isopropyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxam (3R)-8-(2-chlorobenzoyl)-4-(fura…

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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) 1.91 7.12 -17.61 1 8 0 92 459.93 4 ↓

Analogs

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Popular Name: (3S)-8-(2-chlorobenzoyl)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]deca (3S)-8-(2-chlorobenzoyl)-N-(2-di…

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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) 1.27 7.61 -60.62 2 9 1 97 489.98 6 ↓
Hi High (pH 8-9.5) 1.46 5.24 -43.64 1 9 0 103 488.972 6 ↓

Analogs

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Popular Name: (3R)-8-(2-chlorobenzoyl)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]deca (3R)-8-(2-chlorobenzoyl)-N-(2-di…

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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) 1.27 7.58 -61.14 2 9 1 97 489.98 6 ↓
Hi High (pH 8-9.5) 1.46 5.55 -41.1 1 9 0 103 488.972 6 ↓

Analogs

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Popular Name: (3S)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec (3S)-N-(2-dimethylaminoethyl)-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) 0.70 6.36 -60.39 2 10 1 106 485.561 7 ↓
Hi High (pH 8-9.5) 0.88 4.06 -43.08 1 10 0 112 484.553 7 ↓

Analogs

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Popular Name: (3R)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec (3R)-N-(2-dimethylaminoethyl)-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) 0.70 6.33 -60.06 2 10 1 106 485.561 7 ↓
Hi High (pH 8-9.5) 0.88 4.28 -40.26 1 10 0 112 484.553 7 ↓

Analogs

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Popular Name: (3S)-4-(furan-2-carbonyl)-N-(2-methoxyethyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3S)-4-(furan-2-carbonyl)-N-(2-m…

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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) 1.04 5.49 -18.78 1 9 0 101 455.511 6 ↓

Analogs

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Popular Name: (3R)-4-(furan-2-carbonyl)-N-(2-methoxyethyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3R)-4-(furan-2-carbonyl)-N-(2-m…

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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) 1.04 5.53 -16.19 1 9 0 101 455.511 6 ↓

Analogs

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Popular Name: (3S)-8-(3,4-dichlorobenzoyl)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5] (3S)-8-(3,4-dichlorobenzoyl)-N-(…

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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 8.03 -58.09 2 9 1 97 524.425 6 ↓
Hi High (pH 8-9.5) 2.11 5.75 -39.84 1 9 0 103 523.417 6 ↓

Analogs

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Popular Name: (3R)-8-(3,4-dichlorobenzoyl)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5] (3R)-8-(3,4-dichlorobenzoyl)-N-(…

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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 8.02 -58.69 2 9 1 97 524.425 6 ↓
Hi High (pH 8-9.5) 2.11 5.92 -36.98 1 9 0 103 523.417 6 ↓

Analogs

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Popular Name: (3S)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-isopropyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3S)-8-(2,4-difluorobenzoyl)-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) 1.54 6.75 -16.23 1 8 0 92 461.465 4 ↓

Analogs

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Popular Name: (3R)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-isopropyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3R)-8-(2,4-difluorobenzoyl)-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) 1.54 6.42 -15.93 1 8 0 92 461.465 4 ↓

Analogs

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Popular Name: (3S)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3S)-8-(2,4-difluorobenzoyl)-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) 2.08 7.62 -15.75 1 8 0 92 475.492 5 ↓

Analogs

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Popular Name: (3S)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3S)-8-(2,4-difluorobenzoyl)-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) 2.08 7.46 -16.41 1 8 0 92 475.492 5 ↓

Analogs

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Popular Name: (3R)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3R)-8-(2,4-difluorobenzoyl)-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) 2.08 7.38 -15.9 1 8 0 92 475.492 5 ↓

Analogs

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Popular Name: (3R)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3R)-8-(2,4-difluorobenzoyl)-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) 2.08 7.54 -16.12 1 8 0 92 475.492 5 ↓

Analogs

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Popular Name: (3S)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3S)-8-(2,4-difluorobenzoyl)-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) 1.75 6.71 -16.19 1 8 0 92 461.465 5 ↓

Analogs

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Popular Name: (3R)-8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3R)-8-(2,4-difluorobenzoyl)-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) 1.75 6.7 -16.68 1 8 0 92 461.465 5 ↓

Analogs

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Popular Name: (3S)-4-(furan-2-carbonyl)-8-(3-nitrobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3S)-4-(furan-2-carbonyl)-8-(3-n…

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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) 1.43 7.26 -21.72 1 11 0 138 470.482 6 ↓

Analogs

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Popular Name: (3R)-4-(furan-2-carbonyl)-8-(3-nitrobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3R)-4-(furan-2-carbonyl)-8-(3-n…

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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) 1.43 7.23 -19.55 1 11 0 138 470.482 6 ↓

Analogs

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Popular Name: (3S)-4-(furan-2-carbonyl)-N-isopropyl-8-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3S)-4-(furan-2-carbonyl)-N-isop…

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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) 1.32 5.88 -19 1 9 0 101 455.511 5 ↓

Analogs

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Popular Name: (3R)-4-(furan-2-carbonyl)-N-isopropyl-8-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3R)-4-(furan-2-carbonyl)-N-isop…

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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) 1.32 5.58 -17.41 1 9 0 101 455.511 5 ↓

Parameters Provided:

ring.id = 20848
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 = 20848 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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