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Popular Name: (4aS,8aS)-4-[(5-nitro-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(5-nitro-2-thienyl)…

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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) 2.51 4.63 -8.6 0 7 0 92 332.403 3 ↓

Analogs

43424291
43424291
43424292
43424292

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Popular Name: (4aS,8aS)-4-(2-thienylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2-thienylsulfonyl)-…

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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) 2.43 3.68 -8.45 0 4 0 47 287.406 2 ↓

Analogs

43424291
43424291
43424292
43424292

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Popular Name: (4aS,8aR)-4-(2-thienylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2-thienylsulfonyl)-…

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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) 2.43 3.59 -9.06 0 4 0 47 287.406 2 ↓

Analogs

41195040
41195040
43425741
43425741
43425742
43425742
43428256
43428256
43428257
43428257

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-[(5-methyl-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(5-methyl-2-thienyl…

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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) 2.65 4.51 -8.41 0 4 0 47 301.433 2 ↓

Analogs

43425741
43425741
43425742
43425742
43428256
43428256
43428257
43428257
43428298
43428298

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-[(5-methyl-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-[(5-methyl-2-thienyl…

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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) 2.65 4.43 -8.95 0 4 0 47 301.433 2 ↓

Analogs

41195046
41195046
43428258
43428258
43428259
43428259
43428298
43428298
43428299
43428299

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-[(5-ethyl-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(5-ethyl-2-thienyl)…

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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) 3.23 5.3 -8.05 0 4 0 47 315.46 3 ↓

Analogs

43428258
43428258
43428259
43428259
43428298
43428298
43428299
43428299
43428300
43428300

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-[(5-ethyl-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-[(5-ethyl-2-thienyl)…

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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) 3.23 5.21 -8.62 0 4 0 47 315.46 3 ↓

Analogs

41195052
41195052

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Popular Name: (4aS,8aS)-4-[(5-chloro-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-[(5-chloro-2-thienyl…

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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) 3.23 4.31 -6.51 0 4 0 47 321.851 2 ↓

Analogs

41195049
41195049

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Popular Name: (4aS,8aR)-4-[(5-chloro-2-thienyl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-[(5-chloro-2-thienyl…

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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) 3.23 4.22 -7.13 0 4 0 47 321.851 2 ↓

Analogs

35237192
35237192
35237193
35237193
35237195
35237195
35237194
35237194
35216265
35216265

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Popular Name: 5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]thiophene-3-carboxylic 5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-…

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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) 1.93 4.25 -50.41 0 6 -1 87 330.407 3 ↓

Analogs

35237192
35237192
35237193
35237193
35237195
35237195
35237194
35237194
35216265
35216265

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]thiophene-3-carboxylic 5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…

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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) 1.93 4.17 -49.9 0 6 -1 87 330.407 3 ↓

Parameters Provided:

ring.id = 454324
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 = 454324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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