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Analogs

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Popular Name: 9-cyclohexyl-3-(2-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-(2-methoxyphenyl)…

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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) 5.29 8.75 -11.62 0 5 0 52 405.494 3 ↓
Mid Mid (pH 6-8) 5.29 11.73 -49.42 1 5 1 53 406.502 3 ↓

Analogs

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Popular Name: 9-cyclohexyl-3-(2-methoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-(2-methoxyphenyl)…

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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) 6.20 8.94 -8.51 0 5 0 52 459.464 4 ↓
Mid Mid (pH 6-8) 6.20 11.92 -45.83 1 5 1 53 460.472 4 ↓

Analogs

12442473
12442473
12391127
12391127
12408173
12408173
12390361
12390361

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Popular Name: 9-cyclohexyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-2-methyl-3-phenyl-8…

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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) 5.28 9.36 -9.24 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.28 12.35 -48.42 1 4 1 44 376.476 2 ↓

Analogs

13691629
13691629
13726888
13726888

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Popular Name: 9-cyclohexyl-3-phenyl-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-phenyl-2-(trifluo…

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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) 6.19 9.61 -6.14 0 4 0 43 429.438 3 ↓
Mid Mid (pH 6-8) 6.19 12.59 -44.53 1 4 1 44 430.446 3 ↓

Analogs

13727178
13727178
13719002
13719002

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Popular Name: 3-(4-chlorophenyl)-9-cyclohexyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(4-chlorophenyl)-9-cyclohexyl-…

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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) 5.74 9.48 -9.19 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.74 12.25 -49.97 1 4 1 44 396.894 2 ↓

Analogs

12442473
12442473
13727178
13727178

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Popular Name: 3-(4-chlorophenyl)-9-cyclohexyl-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(4-chlorophenyl)-9-cyclohexyl-…

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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) 5.96 9.88 -8.46 0 4 0 43 409.913 2 ↓
Mid Mid (pH 6-8) 5.96 12.86 -48.92 1 4 1 44 410.921 2 ↓

Analogs

13687973
13687973
13691629
13691629

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Popular Name: 3-(4-chlorophenyl)-9-cyclohexyl-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(4-chlorophenyl)-9-cyclohexyl-…

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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) 6.87 10.13 -5.29 0 4 0 43 463.883 3 ↓
Mid Mid (pH 6-8) 6.87 13.11 -45.07 1 4 1 44 464.891 3 ↓

Analogs

12409052
12409052
12322295
12322295
12321671
12321671
12442473
12442473

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Popular Name: 9-cyclohexyl-3-(4-methoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-(4-methoxyphenyl)…

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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) 5.34 8.65 -9.7 0 5 0 52 405.494 3 ↓
Mid Mid (pH 6-8) 5.34 11.64 -49.42 1 5 1 53 406.502 3 ↓

Analogs

13691160
13691160
13733891
13733891

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Popular Name: 9-cyclohexyl-3-(4-methoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-(4-methoxyphenyl)…

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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) 6.25 8.91 -6.88 0 5 0 52 459.464 4 ↓
Mid Mid (pH 6-8) 6.25 11.89 -45.88 1 5 1 53 460.472 4 ↓

Analogs

12408696
12408696
12390955
12390955
12323529
12323529
13690407
13690407

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Popular Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 9-cyclohexyl-3-(3,4-dimethoxyphe…

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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) 4.93 8.56 -12.58 0 6 0 61 435.52 4 ↓
Mid Mid (pH 6-8) 4.93 11.54 -53.18 1 6 1 62 436.528 4 ↓

Analogs

13691160
13691160
13733891
13733891

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclohexyl-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4- 9-cyclohexyl-3-(3,4-dimethoxyphe…

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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) 5.84 8.82 -9.09 0 6 0 61 489.49 5 ↓
Mid Mid (pH 6-8) 5.84 11.8 -48.99 1 6 1 62 490.498 5 ↓

Analogs

13719002
13719002
13687499
13687499

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Popular Name: 3-(4-bromophenyl)-9-cyclohexyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(4-bromophenyl)-9-cyclohexyl-8…

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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) 5.87 9.57 -9.11 0 4 0 43 440.337 2 ↓
Mid Mid (pH 6-8) 5.87 12.36 -50.02 1 4 1 44 441.345 2 ↓

Parameters Provided:

ring.id = 565666
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 = 565666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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