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Popular Name: 2-(N-ethyl-3-methyl-anilino)-1-(1-methylpyrrol-2-yl)ethanone 2-(N-ethyl-3-methyl-anilino)-1-(…

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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) 3.21 10.08 -8.5 0 3 0 25 256.349 5 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)-1-(1H-pyrrol-2-yl)ethanone 2-(N-ethyl-3-methyl-anilino)-1-(…

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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) 3.14 8.35 -8.8 1 3 0 36 242.322 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.03 7.83 -19.74 2 7 0 90 410.417 10 ↓

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Popular Name: ethyl ethyl

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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) 4.03 7.86 -19.84 2 7 0 90 410.417 10 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.66 6.94 -20.32 2 7 0 90 396.39 9 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.66 6.98 -20.45 2 7 0 90 396.39 9 ↓

Analogs

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Popular Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxy-phenyl]amino]propan- (2S)-1-(4-acetyl-3,5-dimethyl-1H…

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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 6.85 -19.68 2 6 0 80 380.391 8 ↓

Analogs

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Popular Name: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxy-phenyl]amino]propan- (2R)-1-(4-acetyl-3,5-dimethyl-1H…

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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 6.77 -20.02 2 6 0 80 380.391 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.23 8.51 -12.26 2 5 0 71 314.385 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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 7.13 -14.46 2 6 0 80 330.384 8 ↓

Analogs

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Popular Name: 2-(N-ethyl-2-methyl-anilino)-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-(N-ethyl-2-methyl-anilino)-1-(…

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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) 3.01 9.8 -16.14 1 6 0 82 287.319 6 ↓
Mid Mid (pH 6-8) 3.01 9.35 -31.43 0 6 -1 80 286.311 6 ↓

Analogs

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Popular Name: 2-(N-methylanilino)-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-(N-methylanilino)-1-(4-nitro-1…

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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 7.58 -17.5 1 6 0 82 259.265 5 ↓
Mid Mid (pH 6-8) 2.23 7.13 -31.51 0 6 -1 80 258.257 5 ↓

Analogs

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Popular Name: 2-(N-ethylanilino)-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-(N-ethylanilino)-1-(4-nitro-1H…

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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) 2.61 8.51 -17.05 1 6 0 82 273.292 6 ↓
Mid Mid (pH 6-8) 2.61 8.06 -31.28 0 6 -1 80 272.284 6 ↓

Analogs

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Popular Name: 2-(N-ethyl-4-fluoro-anilino)-1-(1H-pyrrol-2-yl)ethanone 2-(N-ethyl-4-fluoro-anilino)-1-(…

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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) 2.88 7.75 -9.08 1 3 0 36 246.285 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.42 8.9 -17.01 3 7 0 100 399.491 9 ↓

Parameters Provided:

ring.id = 11387
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 = 11387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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