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Analogs

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Popular Name: (1R)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]cyclohex-3-ene-1-carboxamide (1R)-N-[(3R)-3-methyl-1,1-dioxo-…

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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) 1.19 2.34 -13.33 1 4 0 63 257.355 2 ↓

Analogs

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Popular Name: (1R)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]cyclohex-3-ene-1-carboxamide (1R)-N-[(3S)-3-methyl-1,1-dioxo-…

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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) 1.19 2.31 -13.49 1 4 0 63 257.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]cyclohex-3-ene-1-carboxamide (1S)-N-[(3R)-3-methyl-1,1-dioxo-…

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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) 1.19 2.34 -13.2 1 4 0 63 257.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]cyclohex-3-ene-1-carboxamide (1S)-N-[(3S)-3-methyl-1,1-dioxo-…

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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) 1.19 2.31 -13.55 1 4 0 63 257.355 2 ↓

Analogs

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Popular Name: (1R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-cyclohex-3-ene-1-carboxamide (1R)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 1.36 4.17 -15.85 0 4 0 54 271.382 3 ↓

Analogs

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Popular Name: (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-cyclohex-3-ene-1-carboxamide (1R)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 1.36 4.13 -16.14 0 4 0 54 271.382 3 ↓

Analogs

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Popular Name: (1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-cyclohex-3-ene-1-carboxamide (1S)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 1.36 4.1 -15.38 0 4 0 54 271.382 3 ↓

Analogs

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Popular Name: (1S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-cyclohex-3-ene-1-carboxamide (1S)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 1.36 4.14 -16.49 0 4 0 54 271.382 3 ↓

Analogs

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Popular Name: (1R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propyl-cyclohex-3-ene-1-carboxamide (1R)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 1.86 4.94 -14.37 0 4 0 54 285.409 4 ↓

Analogs

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Popular Name: (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-cyclohex-3-ene-1-carboxamide (1R)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 1.86 4.95 -16.44 0 4 0 54 285.409 4 ↓

Analogs

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Popular Name: (1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propyl-cyclohex-3-ene-1-carboxamide (1S)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 1.86 5.16 -14.35 0 4 0 54 285.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-cyclohex-3-ene-1-carboxamide (1S)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 1.86 5.15 -16.29 0 4 0 54 285.409 4 ↓

Parameters Provided:

ring.id = 118828
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 = 118828 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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