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Popular Name: 6-[(R)-amino(cyclobutyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino(cyclobutyl)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) -0.29 6.24 -54.17 3 3 1 48 245.346 2 ↓

Analogs

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Popular Name: 6-[(S)-amino(cyclobutyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino(cyclobutyl)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) -0.29 6.16 -54.36 3 3 1 48 245.346 2 ↓

Analogs

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Popular Name: 6-[(R)-cyclobutyl(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-cyclobutyl(methylamino)me…

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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) 1.96 7.94 -48.5 2 3 1 37 259.373 3 ↓

Analogs

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Popular Name: 6-[(S)-cyclobutyl(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-cyclobutyl(methylamino)me…

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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) 1.96 7.74 -49.13 2 3 1 37 259.373 3 ↓

Analogs

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Popular Name: 6-[(R)-cyclobutyl(ethylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-cyclobutyl(ethylamino)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) 2.34 8.38 -47.75 2 3 1 37 273.4 4 ↓

Analogs

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Popular Name: 6-[(S)-cyclobutyl(ethylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-cyclobutyl(ethylamino)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) 2.34 8.59 -47.37 2 3 1 37 273.4 4 ↓

Analogs

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Popular Name: 6-[(R)-cyclobutyl(propylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-cyclobutyl(propylamino)me…

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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) 2.84 9.13 -48.54 2 3 1 37 287.427 5 ↓

Analogs

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Popular Name: 6-[(S)-cyclobutyl(propylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-cyclobutyl(propylamino)me…

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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) 2.84 9.34 -48.22 2 3 1 37 287.427 5 ↓

Analogs

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Popular Name: 6-[(R)-cyclobutyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-cyclobutyl(hydroxy)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) 1.41 5.78 -7.97 1 3 0 41 245.322 2 ↓

Analogs

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Popular Name: 6-[(S)-cyclobutyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-cyclobutyl(hydroxy)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) 1.41 6.1 -7.78 1 3 0 41 245.322 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro(cyclobutyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro(cyclobutyl)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) 2.78 8.98 -7.06 0 2 0 20 263.768 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro(cyclobutyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro(cyclobutyl)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) 2.78 9.09 -7.07 0 2 0 20 263.768 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo(cyclobutyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo(cyclobutyl)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) 2.92 9.05 -6.89 0 2 0 20 308.219 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo(cyclobutyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo(cyclobutyl)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) 2.92 9.16 -6.91 0 2 0 20 308.219 2 ↓

Parameters Provided:

ring.id = 275883
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 = 275883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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