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Popular Name: 6-[(R)-amino-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-[(3S)-tetrahydropyr…

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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) -0.58 5.03 -57.83 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) -0.58 4.69 -8.52 2 4 0 56 274.364 2 ↓

Analogs

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Popular Name: 6-[(S)-amino-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-[(3S)-tetrahydropyr…

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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) -0.58 4.98 -58.49 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) -0.58 4.68 -8.04 2 4 0 56 274.364 2 ↓

Analogs

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Popular Name: 6-[(R)-amino-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-[(3R)-tetrahydropyr…

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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) -0.58 4.98 -58.67 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) -0.58 4.65 -8.61 2 4 0 56 274.364 2 ↓

Analogs

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Popular Name: 6-[(S)-amino-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-[(3R)-tetrahydropyr…

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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) -0.58 5 -57.76 3 4 1 57 275.372 2 ↓
Hi High (pH 8-9.5) -0.58 4.73 -7.99 2 4 0 56 274.364 2 ↓

Analogs

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

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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) 1.68 6.77 -51.93 2 4 1 46 289.399 3 ↓
Hi High (pH 8-9.5) 1.68 5.87 -7.92 1 4 0 42 288.391 3 ↓

Analogs

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

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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) 1.68 6.65 -52.33 2 4 1 46 289.399 3 ↓
Hi High (pH 8-9.5) 1.68 5.54 -7.89 1 4 0 42 288.391 3 ↓

Analogs

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

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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) 1.68 6.67 -52.58 2 4 1 46 289.399 3 ↓
Hi High (pH 8-9.5) 1.68 5.62 -7.84 1 4 0 42 288.391 3 ↓

Analogs

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

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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) 1.68 6.66 -51.2 2 4 1 46 289.399 3 ↓
Hi High (pH 8-9.5) 1.68 6.04 -7.92 1 4 0 42 288.391 3 ↓

Analogs

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Popular Name: 6-[(R)-hydroxy-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-[(3R)-tetrahydrop…

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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) 1.12 4.66 -9.08 1 4 0 50 275.348 2 ↓

Analogs

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Popular Name: 6-[(S)-hydroxy-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-[(3R)-tetrahydrop…

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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) 1.12 4.51 -9.25 1 4 0 50 275.348 2 ↓

Analogs

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Popular Name: 6-[(R)-hydroxy-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-[(3S)-tetrahydrop…

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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) 1.12 4.52 -9.25 1 4 0 50 275.348 2 ↓

Analogs

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Popular Name: 6-[(S)-hydroxy-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-[(3S)-tetrahydrop…

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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) 1.12 4.69 -9.08 1 4 0 50 275.348 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-[(3R)-tetrahydropy…

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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) 2.50 7.86 -8.52 0 3 0 30 293.794 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-[(3R)-tetrahydropy…

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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) 2.50 7.86 -8.2 0 3 0 30 293.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-[(3S)-tetrahydropy…

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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) 2.50 7.84 -8.2 0 3 0 30 293.794 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-[(3S)-tetrahydropy…

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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) 2.50 7.88 -8.54 0 3 0 30 293.794 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-[(3R)-tetrahydropyr…

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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) 2.63 7.92 -8.3 0 3 0 30 338.245 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo-[(3R)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-[(3R)-tetrahydropyr…

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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) 2.63 7.91 -8.06 0 3 0 30 338.245 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-[(3S)-tetrahydropyr…

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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) 2.63 7.9 -8.07 0 3 0 30 338.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3S)-tetrahydropyran-3-yl]methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-[(3S)-tetrahydropyr…

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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) 2.63 7.93 -8.37 0 3 0 30 338.245 2 ↓

Parameters Provided:

ring.id = 275879
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 = 275879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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