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Analogs

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Popular Name: N-[(1R,2R)-1'-[(2,6-dimethoxyphenyl)methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-methylsu N-[(1R,2R)-1'-[(2,6-dimethoxyphe…

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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 0.3 -49.87 2 6 1 61 471.643 8 ↓

Analogs

14987144
14987144

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Popular Name: N-[(1R,2R)-1'-[(3-ethoxy-4-hydroxy-phenyl)methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-me N-[(1R,2R)-1'-[(3-ethoxy-4-hydro…

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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 -1.7 -65.1 3 6 1 72 471.643 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(3,5-dimethoxyphenyl)methyl]-2-(2-methoxyethoxy)spiro[indane-3,4'-piperidine]-1-yl]-2 N-[(1R,2R)-1'-[(3,5-dimethoxyphe…

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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) 3.62 0.09 -61.55 2 7 1 70 497.656 10 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-allyloxy-1'-[(4-methoxy-3-methyl-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-me N-[(1R,2R)-2-allyloxy-1'-[(4-met…

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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 1.07 -65.2 2 6 1 61 465.614 9 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(3-hydroxyphenyl)methyl]-2-(2-methoxyethoxy)spiro[indane-3,4'-piperidine]-1-yl]-2-met N-[(1R,2R)-1'-[(3-hydroxyphenyl)…

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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) 3.07 -1.92 -63.18 3 6 1 72 453.603 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethoxy)spiro[indane-3,4'-piperidine]-1-yl]-2- N-[(1R,2R)-1'-[(2,3-difluorophen…

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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) 3.81 1.29 -60.53 2 5 1 52 473.584 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[[4-(2-hydroxyethoxy)phenyl]methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-me N-[(1R,2R)-1'-[[4-(2-hydroxyetho…

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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 -2.75 -65.57 3 6 1 72 471.643 9 ↓

Analogs

14991156
14991156

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Popular Name: N-[(1R,2R)-2-methoxy-1'-[(4-methoxy-2,5-dimethyl-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2 N-[(1R,2R)-2-methoxy-1'-[(4-meth…

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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) 3.99 0.81 -59.37 2 5 1 52 469.671 7 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-allyloxy-1'-[(4-fluorophenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-methylsulfany N-[(1R,2R)-2-allyloxy-1'-[(4-flu…

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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) 3.99 1.08 -65.43 2 4 1 43 455.619 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(3-ethoxy-2-hydroxy-phenyl)methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-me N-[(1R,2R)-1'-[(3-ethoxy-2-hydro…

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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) 3.10 -1.54 -60.42 3 6 1 72 471.643 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(4-chlorophenyl)methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-methylsulfany N-[(1R,2R)-1'-[(4-chlorophenyl)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) 3.86 -0.15 -65.23 2 4 1 43 446.036 6 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-allyloxy-1'-[(4-chlorophenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-methylsulfany N-[(1R,2R)-2-allyloxy-1'-[(4-chl…

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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) 4.51 0.2 -64.3 2 4 1 43 472.074 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-ethoxy-1'-[(2-fluoro-4-methoxy-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]propana N-[(1R,2R)-2-ethoxy-1'-[(2-fluor…

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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) 4.06 1.07 -56.98 2 5 1 52 441.567 7 ↓

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) 4.08 1.5 -69.25 2 6 1 69 451.587 8 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-methoxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-met N-[(1R,2R)-2-methoxy-1'-[[4-(tri…

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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) 4.08 2.16 -68.82 2 4 1 43 479.588 7 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(2,5-dimethoxyphenyl)methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-methylsu N-[(1R,2R)-1'-[(2,5-dimethoxyphe…

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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) 3.22 0.07 -53.22 2 6 1 61 471.643 8 ↓

Parameters Provided:

ring.id = 45908
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 = 45908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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