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Popular Name: 2-[3-(trifluoromethoxy)phenyl]indan-2-ol 2-[3-(trifluoromethoxy)phenyl]in…

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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) 4.08 6.46 -5.04 1 2 0 29 294.272 3 ↓

Analogs

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Popular Name: 2-[3-(trifluoromethoxy)phenyl]indan-2-amine 2-[3-(trifluoromethoxy)phenyl]in…

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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) 4.12 6.92 -49.41 3 2 1 37 294.296 3 ↓
Mid Mid (pH 6-8) 4.12 6.67 -3.83 2 2 0 35 293.288 3 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)indan-2-ol 2-(2-fluorophenyl)indan-2-ol

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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) 3.25 6.62 -5.9 1 1 0 20 228.266 1 ↓

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)indan-2-ol 2-(2,5-dimethylphenyl)indan-2-ol

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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) 3.96 7.71 -4.57 1 1 0 20 238.33 1 ↓

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)indan-2-amine 2-(2,5-dimethylphenyl)indan-2-amine

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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) 4.00 8.13 -40.37 3 1 1 28 238.354 1 ↓
Hi High (pH 8-9.5) 4.00 7.89 -3.65 2 1 0 26 237.346 1 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)indan-2-ol 2-(3,4-dimethylphenyl)indan-2-ol

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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) 3.96 7.88 -4.67 1 1 0 20 238.33 1 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)indan-2-amine 2-(3,4-dimethylphenyl)indan-2-amine

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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) 4.00 8.34 -43.09 3 1 1 28 238.354 1 ↓
Hi High (pH 8-9.5) 4.00 8.11 -3.58 2 1 0 26 237.346 1 ↓

Analogs

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Popular Name: 2-(2,3-dimethylphenyl)indan-2-ol 2-(2,3-dimethylphenyl)indan-2-ol

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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) 3.93 7.59 -4.71 1 1 0 20 238.33 1 ↓

Analogs

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Popular Name: 2-(2,3-dimethylphenyl)indan-2-amine 2-(2,3-dimethylphenyl)indan-2-amine

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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) 3.97 8.04 -40.5 3 1 1 28 238.354 1 ↓
Hi High (pH 8-9.5) 3.97 7.78 -3.73 2 1 0 26 237.346 1 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)indan-2-ol 2-(4-tert-butylphenyl)indan-2-ol

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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) 4.84 8.98 -4.18 1 1 0 20 266.384 2 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)indan-2-amine 2-(4-tert-butylphenyl)indan-2-amine

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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) 4.88 9.44 -43.37 3 1 1 28 266.408 2 ↓
Hi High (pH 8-9.5) 4.88 9.22 -3.17 2 1 0 26 265.4 2 ↓

Analogs

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Popular Name: (2-phenylindan-2-yl)methanamine (2-phenylindan-2-yl)methanamine

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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) 2.58 -0.86 -44.08 3 1 1 28 224.327 2 ↓

Analogs

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Popular Name: 1-(2-phenylindan-2-yl)ethanone 1-(2-phenylindan-2-yl)ethanone

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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 2.41 -7.09 0 1 0 17 236.314 2 ↓

Analogs

21789050
21789050
21789054
21789054
21789058
21789058
21789061
21789061

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Popular Name: 2-phenylindan-2-amine 2-phenylindan-2-amine

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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 -1.05 -43.35 3 1 1 28 210.3 1 ↓

Analogs

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Popular Name: 2-phenylindane-2-carbonyl 2-phenylindane-2-carbonyl

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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) 4.26 2.01 -4.94 0 1 0 17 256.732 2 ↓

Analogs

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Popular Name: [2-(4-methoxyphenyl)indan-2-yl]methanamine [2-(4-methoxyphenyl)indan-2-yl]m…

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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) 2.64 -0.85 -47.06 3 2 1 37 254.353 3 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)indan-2-yl]ethanone 1-[2-(4-methoxyphenyl)indan-2-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) 3.38 2.43 -8.51 0 2 0 26 266.34 3 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)indan-2-amine 2-(4-methoxyphenyl)indan-2-amine

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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) 3.23 -1.03 -46.9 3 2 1 37 240.326 2 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)indane-2-carbonyl 2-(4-methoxyphenyl)indane-2-carb…

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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) 4.32 2.03 -6.4 0 2 0 26 286.758 3 ↓

Analogs

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Popular Name: [2-(2-methoxyphenyl)indan-2-yl]methanamine [2-(2-methoxyphenyl)indan-2-yl]m…

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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 -0.57 -41.65 3 2 1 37 254.353 3 ↓

Analogs

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Popular Name: 1-[2-(2-methoxyphenyl)indan-2-yl]ethanone 1-[2-(2-methoxyphenyl)indan-2-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) 3.33 2.64 -9.26 0 2 0 26 266.34 3 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)indan-2-amine 2-(2-methoxyphenyl)indan-2-amine

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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 -0.64 -42.86 3 2 1 37 240.326 2 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)indane-2-carbonyl 2-(2-methoxyphenyl)indane-2-carb…

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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) 4.27 2.35 -6.63 0 2 0 26 286.758 3 ↓

Analogs

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Popular Name: {[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]methyl}amine {[2-(3,4-Dimethoxyphenyl)-2,3-di…

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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 -0.35 -52.35 3 3 1 46 284.379 4 ↓

Analogs

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Popular Name: 2-(2,3-difluorophenyl)indan-2-ol 2-(2,3-difluorophenyl)indan-2-ol

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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) 3.36 6.68 -7.8 1 1 0 20 246.256 1 ↓

Analogs

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Popular Name: 2-(2,3-difluorophenyl)indan-2-amine 2-(2,3-difluorophenyl)indan-2-amine

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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) 3.40 7.14 -52.07 3 1 1 28 246.28 1 ↓
Mid Mid (pH 6-8) 3.40 6.9 -7.32 2 1 0 26 245.272 1 ↓

Parameters Provided:

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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 = 8021 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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