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Popular Name: (4R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(2,5-dimethyl-3-t…

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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) 3.17 10.11 -37.74 2 1 1 17 292.493 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-t…

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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) 3.17 9.54 -38.59 2 1 1 17 292.493 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(2,5-dimethyl-3-t…

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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) 3.17 9.54 -38.31 2 1 1 17 292.493 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(2,5-dimethyl-3-t…

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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) 3.17 10.17 -37.93 2 1 1 17 292.493 3 ↓

Analogs

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Popular Name: (4R)-N-(3-thienylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(3-thienylmethyl)-4,5,6,7…

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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) 2.17 7.86 -40.7 2 1 1 17 250.412 3 ↓

Analogs

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Popular Name: (4S)-N-(3-thienylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(3-thienylmethyl)-4,5,6,7…

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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) 2.17 7.86 -40.8 2 1 1 17 250.412 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(3-thienyl)ethyl]…

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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) 2.73 7.9 -39.12 2 1 1 17 264.439 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(3-thienyl)ethyl]…

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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) 2.73 8.49 -38.17 2 1 1 17 264.439 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(3-thienyl)ethyl]…

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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) 2.73 8.51 -38.25 2 1 1 17 264.439 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(3-thienyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(3-thienyl)ethyl]…

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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) 2.73 7.92 -39.08 2 1 1 17 264.439 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-bromo-3-thienyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-bromo-3-thienyl)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) 3.11 8.6 -44.69 2 1 1 17 329.308 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-bromo-3-thienyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-bromo-3-thienyl)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) 3.11 8.59 -44.39 2 1 1 17 329.308 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-nitro-3-thienyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-nitro-3-thienyl)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) 2.26 8.83 -58.74 2 4 1 62 295.409 4 ↓

Analogs

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Popular Name: (4S)-N-[(5-nitro-3-thienyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-nitro-3-thienyl)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) 2.26 8.83 -57.94 2 4 1 62 295.409 4 ↓

Analogs

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Popular Name: (4R)-N-[(2,5-dimethyl-3-thienyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(2,5-dimethyl-3-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) 2.62 9.49 -40.43 2 1 1 17 278.466 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(2,5-dimethyl-3-thienyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(2,5-dimethyl-3-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) 2.62 9.49 -40.2 2 1 1 17 278.466 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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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 = 210702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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