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Popular Name: (2R)-4-[(3S)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-[(3S)-3-methylpyrrolidine…

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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) 1.00 5.83 -68.2 2 6 0 86 290.319 2 ↓

Analogs

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Popular Name: (2R)-4-[(3R)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-[(3R)-3-methylpyrrolidine…

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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) 1.00 5.83 -66.97 2 6 0 86 290.319 2 ↓

Analogs

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Popular Name: (2S)-4-[(3S)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2S)-4-[(3S)-3-methylpyrrolidine…

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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) 1.00 5.76 -66.61 2 6 0 86 290.319 2 ↓

Analogs

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Popular Name: (2S)-4-[(3R)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2S)-4-[(3R)-3-methylpyrrolidine…

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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) 1.00 5.77 -67.75 2 6 0 86 290.319 2 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[(3S)-3-methylpyrrolidin-3-yl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 1.76 4.45 -47.15 2 4 1 46 247.318 1 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[(3R)-3-methylpyrrolidin-3-yl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 1.76 4.44 -47.17 2 4 1 46 247.318 1 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[(3S)-3-ethylpyrrolidin-3-yl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 2.10 5.13 -49.01 2 4 1 46 261.345 2 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[(3R)-3-ethylpyrrolidin-3-yl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 2.10 4.9 -46.82 2 4 1 46 261.345 2 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[(3S)-3-propylpyrrolidin-3-yl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 2.66 5.87 -49.52 2 4 1 46 275.372 3 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[(3R)-3-propylpyrrolidin-3-yl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 2.66 5.53 -47.34 2 4 1 46 275.372 3 ↓

Analogs

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Popular Name: (2R)-4-[(3S)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[(3S)-3-methylpyrrolidine…

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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) 0.48 2.35 -56.74 4 6 1 89 290.343 2 ↓

Analogs

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Popular Name: (2R)-4-[(3R)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[(3R)-3-methylpyrrolidine…

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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) 0.48 2.36 -58.23 4 6 1 89 290.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3S)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[(3S)-3-methylpyrrolidine…

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Activity (Go SEA)

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) 0.48 2.3 -59.04 4 6 1 89 290.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3R)-3-methylpyrrolidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[(3R)-3-methylpyrrolidine…

Find On: PubMed — Wikipedia — Google

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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) 0.48 2.3 -57.47 4 6 1 89 290.343 2 ↓

Parameters Provided:

ring.id = 303279
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 = 303279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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