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1719363
1719363

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Popular Name: 1-(2-furylmethyl)-6,7-dihydro-5H-indol-4-one 1-(2-furylmethyl)-6,7-dihydro-5H…

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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) 2.04 7.63 -12.43 0 3 0 35 215.252 2 ↓

Analogs

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Popular Name: 1-(2-furylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(2-furylmethyl)-2,6,6-trimethy…

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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) 3.15 8.96 -13.09 0 3 0 35 257.333 2 ↓

Analogs

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Popular Name: 1-(2-furylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(2-furylmethyl)-6,6-dimethyl-5…

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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) 2.93 8.55 -11.9 0 3 0 35 243.306 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2-furyl)ethyl]-2-meth…

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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 8.42 -11.55 0 3 0 35 243.306 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2-furyl)ethyl]-2-meth…

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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 8.5 -13.01 0 3 0 35 243.306 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2-furyl)ethyl]-6,7-di…

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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) 2.41 8.12 -13.08 0 3 0 35 229.279 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2-furyl)ethyl]-6,7-di…

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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) 2.41 8.12 -12.9 0 3 0 35 229.279 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-(2-furyl)ethyl]-2,6,6-…

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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) 3.52 9.35 -11.16 0 3 0 35 271.36 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-(2-furyl)ethyl]-2,6,6-…

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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) 3.52 9.43 -12.32 0 3 0 35 271.36 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-(2-furyl)ethyl]-6,6-di…

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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) 3.30 9.04 -12.55 0 3 0 35 257.333 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-(2-furyl)ethyl]-6,6-di…

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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) 3.30 9.04 -12.23 0 3 0 35 257.333 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(1R)-1-(5-methyl-2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-1-(5-methyl-2-f…

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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) 2.85 9.31 -13.05 0 3 0 35 257.333 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(1S)-1-(5-methyl-2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-1-(5-methyl-2-f…

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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) 2.85 9.24 -11.39 0 3 0 35 257.333 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(5-methyl-2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(5-methyl-2-furyl)ethy…

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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 8.95 -13.08 0 3 0 35 243.306 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(5-methyl-2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(5-methyl-2-furyl)ethy…

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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 8.95 -13.26 0 3 0 35 243.306 2 ↓

Analogs

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Popular Name: 2,6,6-trimethyl-1-[(1R)-1-(5-methyl-2-furyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1R)-1-(5-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) 3.74 10.24 -12.33 0 3 0 35 285.387 2 ↓

Analogs

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Popular Name: 2,6,6-trimethyl-1-[(1S)-1-(5-methyl-2-furyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1S)-1-(5-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) 3.74 10.17 -10.99 0 3 0 35 285.387 2 ↓

Analogs

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Popular Name: 6,6-dimethyl-1-[(1R)-1-(5-methyl-2-furyl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-(5-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) 3.52 9.88 -12.37 0 3 0 35 271.36 2 ↓

Analogs

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Popular Name: 6,6-dimethyl-1-[(1S)-1-(5-methyl-2-furyl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-(5-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) 3.52 9.88 -12.72 0 3 0 35 271.36 2 ↓

Parameters Provided:

ring.id = 571188
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 = 571188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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