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Analogs

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Popular Name: 2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-(4-phenoxyphenyl)-3a,4,7,7a-te…

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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) 3.96 10.01 -7.32 0 4 0 47 319.36 3 ↓

Analogs

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Popular Name: 2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[4-(3-methylphenoxy)phenyl]-3a…

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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) 4.38 10.68 -7.62 0 4 0 47 333.387 3 ↓

Analogs

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Popular Name: (3aS,7aS)-2-[4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aS)-2-[4-(4-methylphenoxy)…

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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) 4.41 10.75 -7.09 0 4 0 47 333.387 3 ↓
Ref Reference (pH 7) 4.41 10.75 -7.12 0 4 0 47 333.387 3 ↓

Analogs

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Popular Name: 4-methyl-2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 4-methyl-2-[4-(3-methylphenoxy)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) 4.38 11.27 -8.49 0 4 0 47 347.414 3 ↓
Ref Reference (pH 7) 4.38 11.26 -7.37 0 4 0 47 347.414 3 ↓

Analogs

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Popular Name: 2-[4-(2-isopropyl-5-methylphenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[4-(2-isopropyl-5-methylphenox…

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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) 5.37 13.3 -6.94 0 4 0 47 389.495 4 ↓

Analogs

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Popular Name: 2-[4-(2-isopropyl-5-methylphenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[4-(2-isopropyl-5-methylphenox…

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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) 5.37 13.34 -8.16 0 4 0 47 389.495 4 ↓
Ref Reference (pH 7) 5.37 13.11 -7.1 0 4 0 47 389.495 4 ↓

Analogs

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Popular Name: (3aR,4R,7aR)-2-[4-(2,3-dimethylphenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,4R,7aR)-2-[4-(2,3-dimethylp…

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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) 4.75 11.93 -8.24 0 4 0 47 361.441 3 ↓
Ref Reference (pH 7) 4.75 11.92 -7.11 0 4 0 47 361.441 3 ↓

Analogs

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Popular Name: 2-[4-(2,4-dichlorophenoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[4-(2,4-dichlorophenoxy)phenyl…

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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) 5.24 11.06 -6.12 0 4 0 47 388.25 3 ↓
Ref Reference (pH 7) 5.24 11.06 -6.1 0 4 0 47 388.25 3 ↓

Analogs

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Popular Name: (3aR,4S,7aR)-2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,4S,7aR)-2-[4-(2,4-dichlorop…

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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) 5.24 11.64 -7.23 0 4 0 47 402.277 3 ↓
Ref Reference (pH 7) 5.24 11.6 -5.75 0 4 0 47 402.277 3 ↓

Analogs

1179657
1179657

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Popular Name: (3aR,7aR)-2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,7aR)-2-[4-(4-tert-butylphen…

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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) 6.21 13.03 -6.8 0 4 0 47 389.495 4 ↓

Analogs

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Popular Name: 2-[3-chloro-4-(4-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[3-chloro-4-(4-methylphenoxy)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) 5.01 11.21 -7.47 0 4 0 47 367.832 3 ↓
Ref Reference (pH 7) 5.01 11.21 -7.5 0 4 0 47 367.832 3 ↓

Analogs

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Popular Name: (3aR,4S,7aR)-2-[4-(4-bromophenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,4S,7aR)-2-[4-(4-bromophenox…

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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) 4.76 11.25 -6.08 0 4 0 47 412.283 3 ↓
Ref Reference (pH 7) 4.76 11.29 -7.67 0 4 0 47 412.283 3 ↓

Analogs

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Popular Name: (3aR,4R,7aR)-2-[4-(4-tert-butylphenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,4R,7aR)-2-[4-(4-tert-butylp…

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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) 5.66 12.76 -6.84 0 4 0 47 389.495 4 ↓
Ref Reference (pH 7) 5.66 12.98 -7.94 0 4 0 47 389.495 4 ↓

Analogs

4093925
4093925

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Popular Name: 2-[4-(2,6-dimethylphenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[4-(2,6-dimethylphenoxy)phenyl…

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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) 4.75 11.94 -7.37 0 4 0 47 361.441 3 ↓
Ref Reference (pH 7) 4.75 11.95 -8.59 0 4 0 47 361.441 3 ↓

Parameters Provided:

ring.id = 41114
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 = 41114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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