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Analogs

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Popular Name: N-methyl-4-(4-methyl-2-oxo-chromen-7-yl)oxy-3-nitro-benzamide N-methyl-4-(4-methyl-2-oxo-chrom…

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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) 3.20 9.09 -23.13 1 8 0 114 354.318 4 ↓

Analogs

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Popular Name: 4-(4-ethyl-2-oxo-chromen-7-yl)oxy-N-methyl-3-nitro-benzamide 4-(4-ethyl-2-oxo-chromen-7-yl)ox…

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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) 3.67 9.84 -22.25 1 8 0 114 368.345 5 ↓

Analogs

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Popular Name: 2-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-5-nitro-benzoic 2-(6-chloro-4-methyl-2-oxo-chrom…

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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) 4.61 10.87 -55.51 0 8 -1 125 374.712 4 ↓

Analogs

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Popular Name: 2-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-5-(diethylsulfamoyl)benzoic 2-(6-chloro-4-methyl-2-oxo-chrom…

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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) 4.71 9.89 -63.26 0 8 -1 117 464.903 7 ↓

Analogs

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Popular Name: 5-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-2-nitro-benzoic 5-(6-chloro-4-methyl-2-oxo-chrom…

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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) 4.71 10.72 -58.55 0 8 -1 125 374.712 4 ↓

Analogs

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Popular Name: 2-[[4-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-3-nitro-benzoyl]amino]acetic 2-[[4-(6-chloro-4-methyl-2-oxo-c…

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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) 2.14 9.53 -50.62 1 10 -1 154 431.764 6 ↓

Analogs

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Popular Name: (2S)-2-[[4-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-(6-chloro-4-methyl-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) 1.93 10.31 -53.99 1 10 -1 154 445.791 6 ↓

Analogs

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Popular Name: (E)-3-[4-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-3-nitro-phenyl]prop-2-enoic (E)-3-[4-(6-chloro-4-methyl-2-ox…

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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) 4.59 12.08 -56.96 0 8 -1 125 400.75 5 ↓

Analogs

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Popular Name: 2-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-5-sulfamoyl-benzoic 2-(6-chloro-4-methyl-2-oxo-chrom…

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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) 3.34 5.14 -62.81 2 8 -1 140 408.795 4 ↓

Analogs

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Popular Name: 4-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-3-nitro-benzoic 4-(6-chloro-4-methyl-2-oxo-chrom…

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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) 4.52 10.94 -50.45 0 8 -1 125 374.712 4 ↓

Analogs

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Popular Name: 2-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxy-5-(methylsulfamoyl)benzoic 2-(6-chloro-4-methyl-2-oxo-chrom…

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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) 3.72 6.36 -63.32 1 8 -1 126 422.822 5 ↓

Analogs

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Popular Name: 7-(2-fluoro-4-nitro-phenoxy)-4-methyl-chromen-2-one 7-(2-fluoro-4-nitro-phenoxy)-4-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) 4.17 10.2 -14.32 0 6 0 85 315.256 3 ↓

Analogs

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Popular Name: 7-(2-fluoro-4-nitro-phenoxy)chromen-2-one 7-(2-fluoro-4-nitro-phenoxy)chro…

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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) 3.79 9.62 -15.64 0 6 0 85 301.229 3 ↓

Parameters Provided:

ring.id = 78657
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 = 78657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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