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Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (2S,6R)-2,6-dimethyl-4-[(5-propy…

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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) 1.47 1.95 -6.59 0 5 0 51 239.319 4 ↓
Mid Mid (pH 6-8) 1.47 4.2 -35.95 1 5 1 53 240.327 4 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (2R,6R)-2,6-dimethyl-4-[(5-propy…

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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) 1.47 2.4 -6.3 0 5 0 51 239.319 4 ↓
Mid Mid (pH 6-8) 1.47 4.34 -35.45 1 5 1 53 240.327 4 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (2S,6S)-2,6-dimethyl-4-[(5-propy…

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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) 1.47 2.4 -6.51 0 5 0 51 239.319 4 ↓
Mid Mid (pH 6-8) 1.47 4.34 -35.61 1 5 1 53 240.327 4 ↓

Analogs

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Popular Name: 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine 4-[(5-propyl-1,2,4-oxadiazol-3-y…

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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) 0.74 0.62 -6.77 0 5 0 51 211.265 4 ↓
Mid Mid (pH 6-8) 0.74 2.87 -36.02 1 5 1 53 212.273 4 ↓

Analogs

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Popular Name: (2R,5S)-2,5-dimethyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (2R,5S)-2,5-dimethyl-4-[(5-propy…

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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) 1.44 1.8 -6.39 0 5 0 51 239.319 4 ↓
Mid Mid (pH 6-8) 1.44 3.98 -32.82 1 5 1 53 240.327 4 ↓

Analogs

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Popular Name: 1-[(2R)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(5-ethyl-1,2,4-oxadia…

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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) 0.26 2.01 -38.04 1 6 1 56 255.342 5 ↓
Hi High (pH 8-9.5) 0.26 -0.55 -7.69 0 6 0 55 254.334 5 ↓

Analogs

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Popular Name: 1-[(2S)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-ethyl-1,2,4-oxadia…

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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) 0.26 1.87 -38.47 1 6 1 56 255.342 5 ↓
Hi High (pH 8-9.5) 0.26 -0.6 -7.73 0 6 0 55 254.334 5 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine N,N-dimethyl-1-[(2R)-4-[(5-propy…

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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) 0.76 2.81 -37.58 1 6 1 56 269.369 6 ↓
Hi High (pH 8-9.5) 0.76 0.22 -7.22 0 6 0 55 268.361 6 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2S)-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine N,N-dimethyl-1-[(2S)-4-[(5-propy…

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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) 0.76 2.64 -38.11 1 6 1 56 269.369 6 ↓
Hi High (pH 8-9.5) 0.76 0.17 -7.24 0 6 0 55 268.361 6 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine N,N-dimethyl-1-[(2R)-4-[(5-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) -0.32 1.26 -38.65 1 6 1 56 241.315 4 ↓
Hi High (pH 8-9.5) -0.32 -1.3 -8.38 0 6 0 55 240.307 4 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2S)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine N,N-dimethyl-1-[(2S)-4-[(5-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) -0.32 1.12 -39.08 1 6 1 56 241.315 4 ↓
Hi High (pH 8-9.5) -0.32 -1.36 -8.4 0 6 0 55 240.307 4 ↓

Analogs

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Popular Name: 1-[(2R)-4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(5-isopropyl-1,2,4-ox…

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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) 0.74 2.65 -37.54 1 6 1 56 269.369 5 ↓
Hi High (pH 8-9.5) 0.74 0.06 -7.35 0 6 0 55 268.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-isopropyl-1,2,4-ox…

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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) 0.74 2.48 -38.07 1 6 1 56 269.369 5 ↓
Hi High (pH 8-9.5) 0.74 0 -7.35 0 6 0 55 268.361 5 ↓

Parameters Provided:

ring.id = 92482
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 = 92482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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