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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(oxo-phenyl-BLAHyl)acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.23 9.41 -15.37 1 9 0 100 461.503 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(oxo-phenyl-BLAHyl)acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.23 9.38 -15.97 1 9 0 100 461.503 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(m-tolyl-oxo-BLAHyl)acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.86 10.06 -17.8 1 9 0 100 475.53 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(m-tolyl-oxo-BLAHyl)acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.86 10.08 -15.37 1 9 0 100 475.53 4 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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) 3.09 9.9 -17.16 1 9 0 100 495.948 4 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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) 3.09 9.92 -14.82 1 9 0 100 495.948 4 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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) 2.90 9.91 -16.07 1 9 0 100 495.948 4 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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) 2.90 9.93 -13.6 1 9 0 100 495.948 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.39 9.46 -16.22 1 9 0 100 479.493 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.39 9.48 -13.83 1 9 0 100 479.493 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.26 10.59 -15.98 1 9 0 100 489.557 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.26 10.61 -15.33 1 9 0 100 489.557 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.26 11.25 -17.32 1 9 0 100 489.557 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.26 10.91 -15.15 1 9 0 100 489.557 4 ↓

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.67 10.07 -15.71 1 9 0 100 475.53 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.67 10.09 -15.14 1 9 0 100 475.53 4 ↓

Parameters Provided:

ring.id = 229373
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 = 229373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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