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Analogs

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Popular Name: (2Z)-8-(2-methoxyethyl)-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-methoxyethyl)-4-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) 3.11 5.46 -9.77 0 5 0 52 357.431 4 ↓
Lo Low (pH 4.5-6) 3.11 8.31 -44.78 1 5 1 53 358.439 4 ↓

Analogs

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Popular Name: (2Z)-8-isopropyl-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isopropyl-4-methyl-2-(2-t…

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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) 3.80 6.68 -7.55 0 4 0 43 341.432 2 ↓
Mid Mid (pH 6-8) 3.80 9.66 -41.75 1 4 1 44 342.44 2 ↓

Analogs

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Popular Name: (2Z)-8-(3-methoxypropyl)-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-methoxypropyl)-4-methy…

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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) 3.38 6.13 -9.17 0 5 0 52 371.458 5 ↓
Lo Low (pH 4.5-6) 3.38 8.99 -47.92 1 5 1 53 372.466 5 ↓

Analogs

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Popular Name: (2Z)-8-isobutyl-4-methyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isobutyl-4-methyl-2-(2-th…

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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) 4.25 8.12 -7.69 0 4 0 43 355.459 3 ↓
Mid Mid (pH 6-8) 4.25 10.6 -44.06 1 4 1 44 356.467 3 ↓

Analogs

13718957
13718957
13718962
13718962

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Popular Name: (2Z)-8-(2-methoxyethyl)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-8-(2-methoxyethyl)-4-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) 3.48 6.06 -9.85 0 5 0 52 371.458 4 ↓
Lo Low (pH 4.5-6) 3.48 8.92 -44.65 1 5 1 53 372.466 4 ↓

Analogs

13690984
13690984
9422861
9422861
13718957
13718957

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Popular Name: (2Z)-8-isopropyl-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-isopropyl-4-methyl-2-[(3-…

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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) 4.17 7.29 -7.69 0 4 0 43 355.459 2 ↓
Mid Mid (pH 6-8) 4.17 10.27 -41.68 1 4 1 44 356.467 2 ↓

Analogs

13718957
13718957
13718962
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-methoxypropyl)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-(3-methoxypropyl)-4-methy…

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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) 3.75 6.73 -9.31 0 5 0 52 385.485 5 ↓
Lo Low (pH 4.5-6) 3.75 9.59 -47.86 1 5 1 53 386.493 5 ↓

Analogs

13718957
13718957
13718962
13718962

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Popular Name: (2Z)-8-isobutyl-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-isobutyl-4-methyl-2-[(3-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) 4.62 8.69 -7.52 0 4 0 43 369.486 3 ↓
Mid Mid (pH 6-8) 4.62 11.19 -44.43 1 4 1 44 370.494 3 ↓

Analogs

22935387
22935387
20714124
20714124
13718559
13718559

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Popular Name: (2Z)-8-(2-methoxyethyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-methoxyethyl)-2-(2-thi…

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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) 2.73 4.79 -9.87 0 5 0 52 343.404 4 ↓

Analogs

13690984
13690984
13722960
13722960
22935387
22935387

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Popular Name: (2Z)-8-isopropyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isopropyl-2-(2-thienylmet…

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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) 3.42 6.03 -7.61 0 4 0 43 327.405 2 ↓
Mid Mid (pH 6-8) 3.42 9.01 -42.04 1 4 1 44 328.413 2 ↓

Analogs

22935387
22935387
13690984
13690984
13722960
13722960

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-methoxypropyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-methoxypropyl)-2-(2-th…

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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) 3.00 5.46 -9.29 0 5 0 52 357.431 5 ↓
Lo Low (pH 4.5-6) 3.00 8.33 -48.2 1 5 1 53 358.439 5 ↓

Analogs

13690984
13690984
22935387
22935387
13722960
13722960

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-isobutyl-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isobutyl-2-(2-thienylmeth…

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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) 3.87 7.43 -7.4 0 4 0 43 341.432 3 ↓
Mid Mid (pH 6-8) 3.87 9.94 -44.8 1 4 1 44 342.44 3 ↓

Analogs

13718962
13718962
13718957
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(2-methoxyethyl)-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-(2-methoxyethyl)-2-[(3-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) 3.11 5.41 -9.93 0 5 0 52 357.431 4 ↓

Analogs

13690984
13690984
4473422
4473422

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Popular Name: (2Z)-8-isopropyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isopropyl-2-[(3-methyl-2-…

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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) 3.80 6.64 -7.72 0 4 0 43 341.432 2 ↓
Mid Mid (pH 6-8) 3.80 9.62 -41.95 1 4 1 44 342.44 2 ↓

Analogs

13718962
13718962
13718957
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-methoxypropyl)-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-(3-methoxypropyl)-2-[(3-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) 3.38 6.08 -9.35 0 5 0 52 371.458 5 ↓
Lo Low (pH 4.5-6) 3.38 8.94 -48.1 1 5 1 53 372.466 5 ↓

Analogs

13690984
13690984
8990847
8990847
13718962
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-isobutyl-2-[(3-methyl-2-thienyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-isobutyl-2-[(3-methyl-2-t…

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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) 4.25 8.04 -7.48 0 4 0 43 355.459 3 ↓
Mid Mid (pH 6-8) 4.25 10.55 -44.28 1 4 1 44 356.467 3 ↓

Parameters Provided:

ring.id = 559966
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 = 559966 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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