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Popular Name: 6-(5-bromothiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-(5-bromothiophene-2-carbonyl)-…

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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) 3.25 4.69 -7.86 1 4 0 55 338.182 2 ↓

Analogs

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Popular Name: 6-(3-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-(3-methylthiophene-2-carbonyl)…

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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) 2.69 4.55 -8.86 1 4 0 55 273.313 2 ↓

Analogs

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Popular Name: 6-(5-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-(5-methylthiophene-2-carbonyl)…

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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) 2.54 4.78 -9.21 1 4 0 55 273.313 2 ↓

Analogs

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Popular Name: (2R)-6-(5-bromothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-(5-bromothiophene-2-carbo…

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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) 3.61 5.4 -6.95 1 4 0 55 352.209 2 ↓

Analogs

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Popular Name: (2S)-6-(5-bromothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-(5-bromothiophene-2-carbo…

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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) 3.61 5.3 -7.16 1 4 0 55 352.209 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-6-(3-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-(3-methylthiophe…

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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) 3.06 5.21 -8.29 1 4 0 55 287.34 2 ↓

Analogs

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Popular Name: (2R)-2-methyl-6-(3-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-(3-methylthiophe…

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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) 3.06 5.32 -8.02 1 4 0 55 287.34 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-6-(5-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-(5-methylthiophe…

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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 5.46 -8.65 1 4 0 55 287.34 2 ↓

Analogs

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Popular Name: (2R)-2-methyl-6-(5-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-(5-methylthiophe…

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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 5.56 -8.37 1 4 0 55 287.34 2 ↓

Analogs

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Popular Name: (2R)-2-methyl-6-(thiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-(thiophene-2-car…

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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) 2.68 4.67 -8.28 1 4 0 55 273.313 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-6-(thiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-(thiophene-2-car…

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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) 2.68 4.56 -8.57 1 4 0 55 273.313 2 ↓

Analogs

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Popular Name: 6-(5-chlorothiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-(5-chlorothiophene-2-carbonyl)…

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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) 3.12 4.58 -7.9 1 4 0 55 293.731 2 ↓

Analogs

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Popular Name: (2R)-6-(5-chlorothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-(5-chlorothiophene-2-carb…

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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) 3.48 5.37 -7.07 1 4 0 55 307.758 2 ↓

Analogs

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Popular Name: (2S)-6-(5-chlorothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-(5-chlorothiophene-2-carb…

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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) 3.48 5.26 -7.32 1 4 0 55 307.758 2 ↓

Analogs

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Popular Name: N,N-diisopropyl-2-[3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]acetamide N,N-diisopropyl-2-[3-oxo-6-(thio…

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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 8.86 -16.31 0 6 0 67 400.5 6 ↓

Analogs

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Popular Name: 2-[2,2-dimethyl-3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]-N-isopropyl-acetamide 2-[2,2-dimethyl-3-oxo-6-(thiophe…

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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) 3.65 7.44 -17.57 1 6 0 76 386.473 5 ↓

Analogs

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Popular Name: N-isopropyl-2-[3-oxo-6-(thiophene-2-carbonyl)-1,4-benzoxazin-4-yl]acetamide N-isopropyl-2-[3-oxo-6-(thiophen…

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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) 2.84 6.03 -18.14 1 6 0 76 358.419 5 ↓

Analogs

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Popular Name: 6-(thiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-(thiophene-2-carbonyl)-4H-1,4-…

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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) 2.32 3.89 -9.1 1 4 0 55 259.286 2 ↓

Parameters Provided:

ring.id = 16351
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 16351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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