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Analogs

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Popular Name: N5-[(3R)-1,1-dioxothiolan-3-yl]-N5-methyl-pyridine-2,5-diamine N5-[(3R)-1,1-dioxothiolan-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) 0.31 0.97 -41.25 3 5 1 78 242.324 2 ↓
Mid Mid (pH 6-8) 0.31 0.5 -14.14 2 5 0 76 241.316 2 ↓

Analogs

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Popular Name: N5-[(3S)-1,1-dioxothiolan-3-yl]-N5-methyl-pyridine-2,5-diamine N5-[(3S)-1,1-dioxothiolan-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) 0.31 0.96 -42.77 3 5 1 78 242.324 2 ↓
Mid Mid (pH 6-8) 0.31 0.5 -14.16 2 5 0 76 241.316 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-methylsulfonyl-pyridin-3-amine N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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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 -2.29 -24.1 1 6 0 93 290.366 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-methylsulfonyl-pyridin-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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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 -2.29 -23.64 1 6 0 93 290.366 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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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) 2.23 0.2 -15.45 1 5 0 68 310.297 5 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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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) 2.23 0.18 -15.53 1 5 0 68 310.297 5 ↓

Analogs

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Popular Name: N3-[(3R)-1,1-dioxothiolan-3-yl]-N4,N4-dimethyl-pyridine-3,4-diamine N3-[(3R)-1,1-dioxothiolan-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) 0.94 1.99 -44.84 2 5 1 64 256.351 3 ↓

Analogs

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Popular Name: N3-[(3S)-1,1-dioxothiolan-3-yl]-N4,N4-dimethyl-pyridine-3,4-diamine N3-[(3S)-1,1-dioxothiolan-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) 0.94 1.98 -46.23 2 5 1 64 256.351 3 ↓

Analogs

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Popular Name: N3-[(3R)-1,1-dioxothiolan-3-yl]-2-methoxy-N4,N4-dimethyl-pyridine-3,4-diamine N3-[(3R)-1,1-dioxothiolan-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) 1.12 1.27 -41.43 2 6 1 73 286.377 4 ↓
Mid Mid (pH 6-8) 1.12 0.39 -12.43 1 6 0 72 285.369 4 ↓

Analogs

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Popular Name: N3-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N4,N4-dimethyl-pyridine-3,4-diamine N3-[(3S)-1,1-dioxothiolan-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) 1.12 0.74 -42.67 2 6 1 73 286.377 4 ↓
Mid Mid (pH 6-8) 1.12 -0.14 -12.47 1 6 0 72 285.369 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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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) 1.20 -1 -16.73 1 6 0 78 286.353 6 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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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) 1.20 -1.01 -16.69 1 6 0 78 286.353 6 ↓

Analogs

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Popular Name: 2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]pyridin-3-amine 2-chloro-N-[(3R)-1,1-dioxothiola…

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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) 1.71 0.87 -15.26 1 4 0 59 246.719 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridin-3-amine 2-chloro-N-[(3S)-1,1-dioxothiola…

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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) 1.71 0.86 -15.98 1 4 0 59 246.719 2 ↓

Analogs

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Popular Name: N5-[(3R)-1,1-dioxothiolan-3-yl]-N2,N2-dimethyl-pyridine-2,5-diamine N5-[(3R)-1,1-dioxothiolan-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) 1.36 2.28 -40.7 2 5 1 64 256.351 3 ↓
Hi High (pH 8-9.5) 1.36 1.94 -14.79 1 5 0 62 255.343 3 ↓

Analogs

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Popular Name: N5-[(3S)-1,1-dioxothiolan-3-yl]-N2,N2-dimethyl-pyridine-2,5-diamine N5-[(3S)-1,1-dioxothiolan-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) 1.36 2.26 -41.69 2 5 1 64 256.351 3 ↓
Hi High (pH 8-9.5) 1.36 1.92 -14.68 1 5 0 62 255.343 3 ↓

Analogs

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Popular Name: N5-[(3R)-1,1-dioxothiolan-3-yl]-N2,N2-diethyl-pyridine-2,5-diamine N5-[(3R)-1,1-dioxothiolan-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) 2.11 4.17 -40.26 2 5 1 64 284.405 5 ↓
Hi High (pH 8-9.5) 2.11 3.79 -13.99 1 5 0 62 283.397 5 ↓

Analogs

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Popular Name: N5-[(3S)-1,1-dioxothiolan-3-yl]-N2,N2-diethyl-pyridine-2,5-diamine N5-[(3S)-1,1-dioxothiolan-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) 2.11 4.15 -41.17 2 5 1 64 284.405 5 ↓
Hi High (pH 8-9.5) 2.11 3.77 -13.86 1 5 0 62 283.397 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-ethoxy-pyridin-3-amine N-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.47 -0.1 -14.25 1 5 0 68 256.327 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-ethoxy-pyridin-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.47 -0.1 -14.92 1 5 0 68 256.327 4 ↓

Analogs

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Popular Name: N3-[(3R)-1,1-dioxothiolan-3-yl]-N2,N2-dimethyl-pyridine-2,3-diamine N3-[(3R)-1,1-dioxothiolan-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) 1.14 2.59 -41.12 2 5 1 64 256.351 3 ↓
Hi High (pH 8-9.5) 1.14 2.13 -14.88 1 5 0 62 255.343 3 ↓

Analogs

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Popular Name: N3-[(3S)-1,1-dioxothiolan-3-yl]-N2,N2-dimethyl-pyridine-2,3-diamine N3-[(3S)-1,1-dioxothiolan-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) 1.14 2.59 -42.05 2 5 1 64 256.351 3 ↓
Hi High (pH 8-9.5) 1.14 2.15 -15.34 1 5 0 62 255.343 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-methoxy-pyridin-3-amine N-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.09 -1.04 -14.39 1 5 0 68 242.3 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-pyridin-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.09 -1.05 -15.04 1 5 0 68 242.3 3 ↓

Parameters Provided:

ring.id = 117339
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 = 117339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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