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

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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) 1.29 6.48 -47.95 2 4 1 46 275.372 3 ↓
Hi High (pH 8-9.5) 1.29 5.53 -7.35 1 4 0 42 274.364 3 ↓

Analogs

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

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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) 1.29 6.18 -50.32 2 4 1 46 275.372 3 ↓
Hi High (pH 8-9.5) 1.29 5.04 -8.12 1 4 0 42 274.364 3 ↓

Analogs

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

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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) 1.29 6.19 -50.8 2 4 1 46 275.372 3 ↓
Hi High (pH 8-9.5) 1.29 4.99 -7.83 1 4 0 42 274.364 3 ↓

Analogs

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

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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) 1.29 6.46 -47.15 2 4 1 46 275.372 3 ↓
Hi High (pH 8-9.5) 1.29 5.39 -8.39 1 4 0 42 274.364 3 ↓

Analogs

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

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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) 1.67 7.32 -46.3 2 4 1 46 289.399 4 ↓
Hi High (pH 8-9.5) 1.67 6.46 -7.2 1 4 0 42 288.391 4 ↓

Analogs

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

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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) 1.67 7.08 -45.1 2 4 1 46 289.399 4 ↓
Hi High (pH 8-9.5) 1.67 5.97 -7.93 1 4 0 42 288.391 4 ↓

Analogs

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

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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) 1.67 7.02 -45.94 2 4 1 46 289.399 4 ↓
Hi High (pH 8-9.5) 1.67 5.94 -7.58 1 4 0 42 288.391 4 ↓

Analogs

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

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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) 1.67 7.29 -45.58 2 4 1 46 289.399 4 ↓
Hi High (pH 8-9.5) 1.67 6.32 -8.18 1 4 0 42 288.391 4 ↓

Analogs

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

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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) 2.11 7.85 -8.48 0 3 0 30 279.767 2 ↓

Analogs

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

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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) 2.11 7.61 -7.71 0 3 0 30 279.767 2 ↓

Analogs

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

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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) 2.11 7.62 -7.7 0 3 0 30 279.767 2 ↓

Analogs

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

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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) 2.11 7.81 -8.75 0 3 0 30 279.767 2 ↓

Analogs

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

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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) 2.25 7.9 -8.22 0 3 0 30 324.218 2 ↓

Analogs

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

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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) 2.25 7.68 -7.52 0 3 0 30 324.218 2 ↓

Analogs

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

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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) 2.25 7.7 -7.54 0 3 0 30 324.218 2 ↓

Analogs

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

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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) 2.25 7.91 -8.44 0 3 0 30 324.218 2 ↓

Parameters Provided:

ring.id = 275954
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 = 275954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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