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Popular Name: (5-chloro-2-thienyl)-[(3S)-tetrahydrothiophen-3-yl]methanone (5-chloro-2-thienyl)-[(3S)-tetra…

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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) 3.19 6.99 -6.15 0 1 0 17 232.757 2 ↓

Analogs

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Popular Name: (5-chloro-2-thienyl)-[(3R)-tetrahydrothiophen-3-yl]methanone (5-chloro-2-thienyl)-[(3R)-tetra…

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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) 3.19 7.03 -5.14 0 1 0 17 232.757 2 ↓

Analogs

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Popular Name: (3-bromo-2-thienyl)-[(3S)-tetrahydrothiophen-3-yl]methanone (3-bromo-2-thienyl)-[(3S)-tetrah…

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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) 3.12 7 -9.28 0 1 0 17 277.208 2 ↓

Analogs

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Popular Name: (3-bromo-2-thienyl)-[(3R)-tetrahydrothiophen-3-yl]methanone (3-bromo-2-thienyl)-[(3R)-tetrah…

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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) 3.12 7.03 -8.11 0 1 0 17 277.208 2 ↓

Analogs

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Popular Name: [(3S)-tetrahydrothiophen-3-yl]-(2-thienyl)methanone [(3S)-tetrahydrothiophen-3-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) 2.39 6.37 -7.91 0 1 0 17 198.312 2 ↓

Analogs

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Popular Name: [(3R)-tetrahydrothiophen-3-yl]-(2-thienyl)methanone [(3R)-tetrahydrothiophen-3-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) 2.39 6.4 -6.75 0 1 0 17 198.312 2 ↓

Analogs

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Popular Name: (5-methyl-2-thienyl)-[(3S)-tetrahydrothiophen-3-yl]methanone (5-methyl-2-thienyl)-[(3S)-tetra…

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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) 2.61 7.18 -7.67 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (5-methyl-2-thienyl)-[(3R)-tetrahydrothiophen-3-yl]methanone (5-methyl-2-thienyl)-[(3R)-tetra…

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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) 2.61 7.21 -6.58 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (5-ethyl-2-thienyl)-[(3S)-tetrahydrothiophen-3-yl]methanone (5-ethyl-2-thienyl)-[(3S)-tetrah…

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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) 3.18 7.97 -7.33 0 1 0 17 226.366 3 ↓

Analogs

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Popular Name: (5-ethyl-2-thienyl)-[(3R)-tetrahydrothiophen-3-yl]methanone (5-ethyl-2-thienyl)-[(3R)-tetrah…

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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) 3.18 8 -6.19 0 1 0 17 226.366 3 ↓

Analogs

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Popular Name: (3-methyl-2-thienyl)-[(3S)-tetrahydrothiophen-3-yl]methanone (3-methyl-2-thienyl)-[(3S)-tetra…

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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) 2.76 7.05 -7.21 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (3-methyl-2-thienyl)-[(3R)-tetrahydrothiophen-3-yl]methanone (3-methyl-2-thienyl)-[(3R)-tetra…

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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) 2.76 7.08 -6.2 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(3S)-tetrahydrothiophen-3-yl]methanone (5-bromo-2-thienyl)-[(3S)-tetrah…

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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) 3.32 7.1 -6.04 0 1 0 17 277.208 2 ↓

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(3R)-tetrahydrothiophen-3-yl]methanone (5-bromo-2-thienyl)-[(3R)-tetrah…

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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) 3.32 7.13 -5.04 0 1 0 17 277.208 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 511708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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