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Analogs

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Popular Name: 2-(4-chlorophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-chlorophenyl)-2-oxoethyl 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) 4.18 12.94 -13.86 0 6 0 81 423.852 6 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-chlorophenyl)-2-oxoethyl 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) 4.18 12.92 -12.39 0 6 0 81 423.852 6 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-bromophenyl)-2-oxoethyl 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) 4.31 13.03 -12.32 0 6 0 81 468.303 6 ↓

Analogs

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Popular Name: 2-{4-nitrophenyl}-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-{4-nitrophenyl}-2-oxoethyl 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) 3.46 13.13 -15.28 0 9 0 127 434.404 7 ↓

Analogs

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Popular Name: 2-oxo-2-phenylethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-oxo-2-phenylethyl 3-(4-methyl-…

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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) 3.49 13.04 -14.13 0 6 0 81 403.434 6 ↓
Ref Reference (pH 7) 3.49 12.77 -12.99 0 6 0 81 403.434 6 ↓

Analogs

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Popular Name: 2-oxo-2-phenylethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-oxo-2-phenylethyl 3-(4-methyl-…

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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) 3.49 12.97 -12.81 0 6 0 81 403.434 6 ↓
Ref Reference (pH 7) 3.49 13.01 -14.56 0 6 0 81 403.434 6 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-bromophenyl)-2-oxoethyl 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) 4.30 13.39 -12.01 0 6 0 81 482.33 6 ↓
Ref Reference (pH 7) 4.30 13.66 -13.17 0 6 0 81 482.33 6 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-bromophenyl)-2-oxoethyl 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) 4.30 13.58 -11.94 0 6 0 81 482.33 6 ↓
Ref Reference (pH 7) 4.30 13.63 -13.6 0 6 0 81 482.33 6 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-chlorophenyl)-2-oxoethyl 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) 4.17 13.52 -13.65 0 6 0 81 437.879 6 ↓
Ref Reference (pH 7) 4.17 13.48 -12.02 0 6 0 81 437.879 6 ↓

Analogs

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Popular Name: 2-(4-methylphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-methylphenyl)-2-oxoethyl 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) 3.94 13.67 -12.72 0 6 0 81 417.461 6 ↓
Ref Reference (pH 7) 3.94 13.69 -13.8 0 6 0 81 417.461 6 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(4-methoxyphenyl)-2-oxoethyl 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) 3.55 12.27 -13.38 0 7 0 90 433.46 7 ↓
Ref Reference (pH 7) 3.55 12.31 -15.11 0 7 0 90 433.46 7 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(3,4-dimethylphenyl)-2-oxoethy…

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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 14.22 -12.89 0 6 0 81 431.488 6 ↓
Ref Reference (pH 7) 4.32 14.23 -13.98 0 6 0 81 431.488 6 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(3,4-dimethylphenyl)-2-oxoethy…

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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 14.03 -12.98 0 6 0 81 431.488 6 ↓
Ref Reference (pH 7) 4.32 14.26 -14.12 0 6 0 81 431.488 6 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] [(1R)-1-methyl-2-oxo-2-phenyl-et…

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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) 3.86 12.95 -14.52 0 6 0 81 403.434 6 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] [(1S)-1-methyl-2-oxo-2-phenyl-et…

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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) 3.86 12.91 -14.68 0 6 0 81 403.434 6 ↓

Analogs

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Popular Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] [2-(4-methyl-3-nitro-phenyl)-2-o…

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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) 3.83 14.34 -19.47 0 9 0 127 462.458 7 ↓
Ref Reference (pH 7) 3.83 14.32 -18.4 0 9 0 127 462.458 7 ↓

Analogs

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Popular Name: [2-(4-bromophenyl)-2-oxo-ethyl] [2-(4-bromophenyl)-2-oxo-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) 4.86 13.65 -13.53 0 6 0 81 482.33 6 ↓
Ref Reference (pH 7) 4.86 13.66 -12.01 0 6 0 81 482.33 6 ↓
Ref Reference (pH 7) 4.86 13.67 -12.02 0 6 0 81 482.33 6 ↓

Analogs

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Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-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) 4.72 13.55 -13.61 0 6 0 81 437.879 6 ↓
Ref Reference (pH 7) 4.72 13.6 -14.01 0 6 0 81 437.879 6 ↓
Ref Reference (pH 7) 4.72 13.56 -12.12 0 6 0 81 437.879 6 ↓

Analogs

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Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-methoxyphenyl)-2-oxo-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) 3.53 11.71 -15.26 0 7 0 90 419.433 7 ↓
Ref Reference (pH 7) 3.53 11.73 -16.69 0 7 0 90 419.433 7 ↓

Analogs

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Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-methoxyphenyl)-2-oxo-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) 3.53 11.69 -15.27 0 7 0 90 419.433 7 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-2-oxo-ethyl] [2-(4-fluorophenyl)-2-oxo-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) 3.66 12.47 -12.73 0 6 0 81 407.397 6 ↓
Ref Reference (pH 7) 3.66 12.49 -14.22 0 6 0 81 407.397 6 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-2-oxo-ethyl] [2-(4-fluorophenyl)-2-oxo-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) 3.66 12.46 -12.8 0 6 0 81 407.397 6 ↓

Analogs

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Popular Name: phenacyl phenacyl

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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) 3.52 10.46 -16.4 1 7 0 101 405.406 6 ↓

Analogs

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Popular Name: phenacyl phenacyl

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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) 3.52 10.46 -15.02 1 7 0 101 405.406 6 ↓
Ref Reference (pH 7) 3.52 10.46 -15.01 1 7 0 101 405.406 6 ↓
Hi High (pH 8-9.5) 3.52 11.46 -56.61 0 7 -1 104 404.398 6 ↓

Analogs

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Popular Name: [2-(4-bromophenyl)-2-oxo-ethyl] [2-(4-bromophenyl)-2-oxo-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) 4.33 11.09 -15.04 1 7 0 101 484.302 6 ↓
Ref Reference (pH 7) 4.33 11.07 -13.71 1 7 0 101 484.302 6 ↓
Hi High (pH 8-9.5) 4.33 12.07 -53.5 0 7 -1 104 483.294 6 ↓

Analogs

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Popular Name: [2-(4-bromophenyl)-2-oxo-ethyl] [2-(4-bromophenyl)-2-oxo-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) 4.33 11.06 -13.76 1 7 0 101 484.302 6 ↓

Analogs

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Popular Name: 1-methyl-2-oxo-2-phenylethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 1-methyl-2-oxo-2-phenylethyl 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) 3.86 13.48 -12.75 0 6 0 81 417.461 6 ↓

Analogs

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Popular Name: 1-methyl-2-oxo-2-phenylethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 1-methyl-2-oxo-2-phenylethyl 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) 3.86 13.25 -12.95 0 6 0 81 417.461 6 ↓

Parameters Provided:

ring.id = 41126
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 41126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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