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Popular Name: (E)-3-[2-(cyclopropylmethoxymethyl)phenyl]prop-2-enoic (E)-3-[2-(cyclopropylmethoxymeth…

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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) 2.51 8.72 -47.69 0 3 -1 49 231.271 6 ↓

Analogs

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Popular Name: (E)-3-[4-(cyclopropylmethoxymethyl)phenyl]prop-2-enoic (E)-3-[4-(cyclopropylmethoxymeth…

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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) 2.73 8.63 -49.3 0 3 -1 49 231.271 6 ↓

Analogs

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Popular Name: (E)-3-[3-(cyclopropylmethoxymethyl)-4-methoxy-phenyl]prop-2-enoic (E)-3-[3-(cyclopropylmethoxymeth…

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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) 2.72 8.16 -51.05 0 4 -1 59 261.297 7 ↓

Analogs

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Popular Name: (E)-3-[5-(cyclopropylmethoxymethyl)-2-methoxy-phenyl]prop-2-enoic (E)-3-[5-(cyclopropylmethoxymeth…

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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 7.98 -55.3 0 4 -1 59 261.297 7 ↓

Analogs

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Popular Name: (E)-3-[4-(cyclopropylmethoxymethyl)-3-fluoro-phenyl]prop-2-enoic (E)-3-[4-(cyclopropylmethoxymeth…

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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) 2.83 8.85 -46.44 0 3 -1 49 249.261 6 ↓

Analogs

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Popular Name: (E)-3-[3-(cyclopropylmethoxymethyl)phenyl]prop-2-enoic (E)-3-[3-(cyclopropylmethoxymeth…

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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) 2.71 8.61 -49.94 0 3 -1 49 231.271 6 ↓

Analogs

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Popular Name: (E)-3-[2-(cyclopropylmethoxymethyl)-5-fluoro-phenyl]prop-2-enoic (E)-3-[2-(cyclopropylmethoxymeth…

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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) 2.65 8.79 -45.39 0 3 -1 49 249.261 6 ↓

Analogs

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Popular Name: (E)-3-[5-(cyclopropylmethoxymethyl)-2-fluoro-phenyl]prop-2-enoic (E)-3-[5-(cyclopropylmethoxymeth…

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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) 2.65 8.66 -51.65 0 3 -1 49 249.261 6 ↓

Analogs

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Popular Name: 4-chloro-3-(cyclopropylmethoxymethyl)aniline 4-chloro-3-(cyclopropylmethoxyme…

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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) 2.44 5.3 -3.31 2 2 0 35 211.692 4 ↓

Analogs

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Popular Name: 3-(cyclopropylmethoxymethyl)-4-ethoxy-aniline 3-(cyclopropylmethoxymethyl)-4-e…

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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) 2.20 5.1 -4.54 2 3 0 44 221.3 6 ↓

Analogs

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Popular Name: N'-[3-(cyclopropylmethoxymethyl)phenyl]-N-(5-methoxypentyl)oxamide N'-[3-(cyclopropylmethoxymethyl)…

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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) 2.05 5.54 -9.42 2 6 0 77 348.443 12 ↓

Analogs

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Popular Name: 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(2-hydroxyethyl)urea 1-[3-(cyclopropylmethoxymethyl)p…

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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) 1.61 1.8 -13.43 3 5 0 71 264.325 7 ↓

Analogs

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Popular Name: 1-(2-bromoallyl)-3-[3-(cyclopropylmethoxymethyl)phenyl]urea 1-(2-bromoallyl)-3-[3-(cycloprop…

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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) 3.36 6.33 -10.52 2 4 0 50 339.233 7 ↓

Analogs

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Popular Name: 3-amino-4-(cyclopropylmethoxymethyl)benzamide 3-amino-4-(cyclopropylmethoxymet…

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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) 0.99 1.67 -8.9 4 4 0 78 220.272 5 ↓

Analogs

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Popular Name: 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(2-diethylaminoethyl)urea 1-[3-(cyclopropylmethoxymethyl)p…

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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) 3.03 7.76 -42.79 3 5 1 55 320.457 10 ↓

Analogs

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Popular Name: 1-[3-(cyclopropylmethoxymethyl)-4-methoxy-phenyl]ethanone 1-[3-(cyclopropylmethoxymethyl)-…

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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) 2.65 6.8 -10.72 0 3 0 36 234.295 6 ↓

Parameters Provided:

ring.id = 1578
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 = 1578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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