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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(oxo-phenyl-BLAHyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.31 9.02 -16.68 1 9 0 100 461.503 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(oxo-phenyl-BLAHyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.31 9.01 -16.57 1 9 0 100 461.503 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(m-tolyl-oxo-BLAHyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.94 9.68 -16.6 1 9 0 100 475.53 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(m-tolyl-oxo-BLAHyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.94 9.69 -16.62 1 9 0 100 475.53 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.17 9.53 -15.94 1 9 0 100 495.948 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.17 9.53 -16.06 1 9 0 100 495.948 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.99 9.54 -14.81 1 9 0 100 495.948 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.99 9.53 -14.75 1 9 0 100 495.948 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.47 9.09 -14.97 1 9 0 100 479.493 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.47 9.08 -15 1 9 0 100 479.493 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.35 10.22 -16.57 1 9 0 100 489.557 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.35 10.22 -16.67 1 9 0 100 489.557 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.35 10.5 -16.37 1 9 0 100 489.557 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.35 10.89 -15.97 1 9 0 100 489.557 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.76 9.69 -16.33 1 9 0 100 475.53 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.76 9.7 -16.41 1 9 0 100 475.53 5 ↓

Parameters Provided:

ring.id = 229347
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 = 229347 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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