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Analogs

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Popular Name: (1R,5S)-3-[(E,1R)-1-[(1R)-1-ethoxyethoxy]-3-iodo-allyl]bicyclo[3.2.0]heptane (1R,5S)-3-[(E,1R)-1-[(1R)-1-etho…

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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) 4.10 9.16 -1.34 0 2 0 18 350.24 6 ↓

Analogs

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Popular Name: (1R,5S)-3-[(E,1R)-1-[(1S)-1-ethoxyethoxy]-3-iodo-allyl]bicyclo[3.2.0]heptane (1R,5S)-3-[(E,1R)-1-[(1S)-1-etho…

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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) 4.10 9.05 -1.12 0 2 0 18 350.24 6 ↓

Analogs

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Popular Name: (1R,5S)-3-[(E,1S)-1-[(1R)-1-ethoxyethoxy]-3-iodo-allyl]bicyclo[3.2.0]heptane (1R,5S)-3-[(E,1S)-1-[(1R)-1-etho…

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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) 4.10 9.08 -1.12 0 2 0 18 350.24 6 ↓

Analogs

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Popular Name: (1R,5S)-3-[(E,1S)-1-[(1S)-1-ethoxyethoxy]-3-iodo-allyl]bicyclo[3.2.0]heptane (1R,5S)-3-[(E,1S)-1-[(1S)-1-etho…

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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) 4.10 9.27 -1.95 0 2 0 18 350.24 6 ↓

Analogs

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Popular Name: (E)-1-[(1S,5S)-3-bicyclo[3.2.0]heptanyl]-3-iodo-prop-2-en-1-one (E)-1-[(1S,5S)-3-bicyclo[3.2.0]h…

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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) 2.59 7.68 -3.77 0 1 0 17 276.117 2 ↓

Analogs

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Popular Name: (E)-1-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-3-iodo-prop-2-en-1-one (E)-1-[(1S,5R)-3-bicyclo[3.2.0]h…

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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) 2.59 7.58 -3.56 0 1 0 17 276.117 2 ↓

Analogs

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Popular Name: (E)-1-[(1R,5R)-3-bicyclo[3.2.0]heptanyl]-3-iodo-prop-2-en-1-one (E)-1-[(1R,5R)-3-bicyclo[3.2.0]h…

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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) 2.59 7.69 -3.75 0 1 0 17 276.117 2 ↓

Analogs

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Popular Name: (1S,5S)-bicyclo[3.2.0]heptane-3-carboxylic (1S,5S)-bicyclo[3.2.0]heptane-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) 1.47 6.03 -47.39 0 2 -1 40 139.174 1 ↓

Analogs

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Popular Name: (1S,5R)-bicyclo[3.2.0]heptane-3-carboxylic (1S,5R)-bicyclo[3.2.0]heptane-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) 1.47 5.85 -45.89 0 2 -1 40 139.174 1 ↓

Analogs

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Popular Name: (1R,5R)-bicyclo[3.2.0]heptane-3-carboxylic (1R,5R)-bicyclo[3.2.0]heptane-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) 1.47 5.99 -47.3 0 2 -1 40 139.174 1 ↓

Analogs

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Popular Name: (E,1S)-1-[(1S,5S)-3-bicyclo[3.2.0]heptanyl]-3-iodo-prop-2-en-1-ol (E,1S)-1-[(1S,5S)-3-bicyclo[3.2.…

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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) 2.77 5.71 -1.45 1 1 0 20 278.133 2 ↓

Analogs

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Popular Name: (E,1S)-1-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-3-iodo-prop-2-en-1-ol (E,1S)-1-[(1S,5R)-3-bicyclo[3.2.…

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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) 2.77 5.29 -1.63 1 1 0 20 278.133 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E,1S)-1-[(1R,5R)-3-bicyclo[3.2.0]heptanyl]-3-iodo-prop-2-en-1-ol (E,1S)-1-[(1R,5R)-3-bicyclo[3.2.…

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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) 2.77 5.7 -1.33 1 1 0 20 278.133 2 ↓

Analogs

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Popular Name: (1S,5S)-bicyclo[3.2.0]heptan-3-amine (1S,5S)-bicyclo[3.2.0]heptan-3-a…

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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) 0.72 2.76 -40.67 3 1 1 28 112.196 0 ↓

Analogs

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Popular Name: (1S,5R)-bicyclo[3.2.0]heptan-3-amine (1S,5R)-bicyclo[3.2.0]heptan-3-a…

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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) 0.72 2.69 -41.43 3 1 1 28 112.196 0 ↓

Analogs

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Popular Name: (1R,5R)-bicyclo[3.2.0]heptan-3-amine (1R,5R)-bicyclo[3.2.0]heptan-3-a…

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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) 0.72 2.76 -40.68 3 1 1 28 112.196 0 ↓

Analogs

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Popular Name: [(1S,5S)-3-bicyclo[3.2.0]heptanyl]methanamine [(1S,5S)-3-bicyclo[3.2.0]heptany…

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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) 1.03 3.4 -41.9 3 1 1 28 126.223 1 ↓

Analogs

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Popular Name: [(1S,5R)-3-bicyclo[3.2.0]heptanyl]methanamine [(1S,5R)-3-bicyclo[3.2.0]heptany…

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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) 1.03 3.27 -42.8 3 1 1 28 126.223 1 ↓

Analogs

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Popular Name: [(1R,5R)-3-bicyclo[3.2.0]heptanyl]methanamine [(1R,5R)-3-bicyclo[3.2.0]heptany…

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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) 1.03 3.44 -41.92 3 1 1 28 126.223 1 ↓

Parameters Provided:

ring.id = 196897
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 = 196897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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