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Analogs

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Popular Name: (3aR,4S,9bR)-6-fluoro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aR,4S,9bR)-6-fluoro-4-(4-morph…

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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) 3.46 6.52 -11.48 1 5 0 59 414.502 3 ↓

Analogs

33932952
33932952
33932954
33932954

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Popular Name: (3aS,4S,9bS)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aS,4S,9bS)-6-chloro-4-(4-morph…

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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) 3.97 7.86 -10.37 1 5 0 59 430.957 3 ↓

Analogs

33932952
33932952
33932954
33932954

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aR,4S,9bR)-6-chloro-4-(4-morph…

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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) 3.97 7.25 -10.66 1 5 0 59 430.957 3 ↓

Analogs

33932952
33932952
33932954
33932954

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bS)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (3aR,4S,9bS)-6-chloro-4-(4-morph…

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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) 3.97 6.4 -11.06 1 5 0 59 430.957 3 ↓

Analogs

33932958
33932958
33932960
33932960
4172165
4172165

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Popular Name: (3aS,4S,9bS)-9-chloro-6-methyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]q (3aS,4S,9bS)-9-chloro-6-methyl-4…

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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) 3.44 8.34 -10.4 1 5 0 59 444.984 3 ↓

Analogs

33932958
33932958
33932960
33932960
4172165
4172165

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-9-chloro-6-methyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]q (3aR,4S,9bR)-9-chloro-6-methyl-4…

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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) 3.44 7.55 -12.6 1 5 0 59 444.984 3 ↓

Analogs

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Popular Name: (3aR,4S,9bS)-8-isopropyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoli (3aR,4S,9bS)-8-isopropyl-4-(4-mo…

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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) 4.83 8.03 -10.41 1 5 0 59 438.593 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,9bS)-8-isopropyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoli (3aS,4S,9bS)-8-isopropyl-4-(4-mo…

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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) 4.83 9.29 -9.82 1 5 0 59 438.593 4 ↓

Analogs

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Popular Name: (3aS,4S,9bR)-7,9-dimethyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinol (3aS,4S,9bR)-7,9-dimethyl-4-(4-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) 4.14 8.33 -10.03 1 5 0 59 424.566 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-7,9-dimethyl-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinol (3aR,4S,9bR)-7,9-dimethyl-4-(4-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) 4.14 7.74 -11.44 1 5 0 59 424.566 3 ↓

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) 3.86 7.7 -17.36 1 7 0 85 468.575 6 ↓

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) 3.86 8.94 -14.76 1 7 0 85 468.575 6 ↓

Parameters Provided:

ring.id = 146373
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 = 146373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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