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Analogs

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Popular Name: [(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-(2-fluorophenyl)methanone [(2R)-2-(1,3-dioxolan-2-yl)-1-pi…

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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) 1.72 6.87 -13.74 0 4 0 39 279.311 2 ↓

Analogs

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Popular Name: [(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-(2-fluorophenyl)methanone [(2S)-2-(1,3-dioxolan-2-yl)-1-pi…

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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) 1.72 6.92 -13.26 0 4 0 39 279.311 2 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (3,5-difluorophenyl)-[(2R)-2-(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) 1.86 6.97 -7.48 0 4 0 39 297.301 2 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (3,5-difluorophenyl)-[(2S)-2-(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) 1.86 7.01 -7.33 0 4 0 39 297.301 2 ↓

Analogs

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Popular Name: (3,5-dimethylphenyl)-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (3,5-dimethylphenyl)-[(2R)-2-(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) 2.43 8.16 -9.63 0 4 0 39 289.375 2 ↓

Analogs

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Popular Name: (3,5-dimethylphenyl)-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (3,5-dimethylphenyl)-[(2S)-2-(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) 2.43 8.21 -9.44 0 4 0 39 289.375 2 ↓

Analogs

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Popular Name: [(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-[4-(trifluoromethoxy)phenyl]methanone [(2R)-2-(1,3-dioxolan-2-yl)-1-pi…

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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) 2.57 6.64 -7.8 0 5 0 48 345.317 4 ↓

Analogs

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Popular Name: [(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-[4-(trifluoromethoxy)phenyl]methanone [(2S)-2-(1,3-dioxolan-2-yl)-1-pi…

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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) 2.57 6.69 -7.63 0 5 0 48 345.317 4 ↓

Analogs

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Popular Name: [(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-(4-ethylphenyl)methanone [(2R)-2-(1,3-dioxolan-2-yl)-1-pi…

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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) 2.52 8.28 -9.31 0 4 0 39 289.375 3 ↓

Analogs

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Popular Name: [(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-(4-ethylphenyl)methanone [(2S)-2-(1,3-dioxolan-2-yl)-1-pi…

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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) 2.52 8.32 -9.09 0 4 0 39 289.375 3 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (2,4-dimethylphenyl)-[(2R)-2-(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) 2.43 8.22 -8.45 0 4 0 39 289.375 2 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (2,4-dimethylphenyl)-[(2S)-2-(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) 2.43 8.17 -8.02 0 4 0 39 289.375 2 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (2,4-difluorophenyl)-[(2R)-2-(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) 1.86 6.93 -11.91 0 4 0 39 297.301 2 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (2,4-difluorophenyl)-[(2S)-2-(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) 1.86 6.98 -11.43 0 4 0 39 297.301 2 ↓

Analogs

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Popular Name: [(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-(3-fluoro-4-methyl-phenyl)methanone [(2R)-2-(1,3-dioxolan-2-yl)-1-pi…

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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 7.54 -7.81 0 4 0 39 293.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-(3-fluoro-4-methyl-phenyl)methanone [(2S)-2-(1,3-dioxolan-2-yl)-1-pi…

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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 7.59 -7.91 0 4 0 39 293.338 2 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (3,5-dimethoxyphenyl)-[(2R)-2-(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) 1.64 5.44 -11.03 0 6 0 57 321.373 4 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methanone (3,5-dimethoxyphenyl)-[(2S)-2-(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) 1.64 5.49 -10.89 0 6 0 57 321.373 4 ↓

Parameters Provided:

ring.id = 326777
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 = 326777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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