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Analogs

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Popular Name: (2S,4R)-4-methyl-2-(morpholinomethyl)cyclohexanone (2S,4R)-4-methyl-2-(morpholinome…

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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) 1.15 3.91 -5.6 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.15 5.98 -38.57 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S,4S)-4-methyl-2-(morpholinomethyl)cyclohexanone (2S,4S)-4-methyl-2-(morpholinome…

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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) 1.15 3.67 -6.69 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.15 5.76 -38.87 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2R,4R)-4-methyl-2-(morpholinomethyl)cyclohexanone (2R,4R)-4-methyl-2-(morpholinome…

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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) 1.15 4.11 -5.77 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.15 5.93 -32.75 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2R,4S)-4-methyl-2-(morpholinomethyl)cyclohexanone (2R,4S)-4-methyl-2-(morpholinome…

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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) 1.15 4.32 -5.79 0 3 0 30 211.305 2 ↓
Mid Mid (pH 6-8) 1.15 6.15 -33.22 1 3 1 31 212.313 2 ↓

Analogs

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Popular Name: (2S,4R)-4-ethyl-2-(morpholinomethyl)cyclohexanone (2S,4R)-4-ethyl-2-(morpholinomet…

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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) 1.83 4.55 -5.55 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.83 6.62 -39.06 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2S,4S)-4-ethyl-2-(morpholinomethyl)cyclohexanone (2S,4S)-4-ethyl-2-(morpholinomet…

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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) 1.83 4.31 -6.63 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.83 6.4 -39.18 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2R,4R)-4-ethyl-2-(morpholinomethyl)cyclohexanone (2R,4R)-4-ethyl-2-(morpholinomet…

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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) 1.83 4.24 -6.43 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.83 6.39 -39.23 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2R,4S)-4-ethyl-2-(morpholinomethyl)cyclohexanone (2R,4S)-4-ethyl-2-(morpholinomet…

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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) 1.83 4.56 -5.55 0 3 0 30 225.332 3 ↓
Mid Mid (pH 6-8) 1.83 6.62 -39.01 1 3 1 31 226.34 3 ↓

Analogs

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Popular Name: (2S,4R)-2-(morpholinomethyl)-4-propyl-cyclohexanone (2S,4R)-2-(morpholinomethyl)-4-p…

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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 5.3 -5.61 0 3 0 30 239.359 4 ↓
Mid Mid (pH 6-8) 2.39 7.37 -39.29 1 3 1 31 240.367 4 ↓

Analogs

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Popular Name: (2S,4S)-2-(morpholinomethyl)-4-propyl-cyclohexanone (2S,4S)-2-(morpholinomethyl)-4-p…

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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 5.07 -6.66 0 3 0 30 239.359 4 ↓
Mid Mid (pH 6-8) 2.39 7.16 -39.59 1 3 1 31 240.367 4 ↓

Analogs

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Popular Name: (2R,4R)-2-(morpholinomethyl)-4-propyl-cyclohexanone (2R,4R)-2-(morpholinomethyl)-4-p…

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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 5 -6.42 0 3 0 30 239.359 4 ↓
Mid Mid (pH 6-8) 2.39 7.15 -39.56 1 3 1 31 240.367 4 ↓

Analogs

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Popular Name: (2R,4S)-2-(morpholinomethyl)-4-propyl-cyclohexanone (2R,4S)-2-(morpholinomethyl)-4-p…

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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 5.71 -5.8 0 3 0 30 239.359 4 ↓
Mid Mid (pH 6-8) 2.39 7.55 -33.7 1 3 1 31 240.367 4 ↓

Analogs

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Popular Name: (2S,4R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[(2S,6R)-2,6-dimethyl…

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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) 1.87 5.81 -5.98 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 1.87 7.65 -33.26 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2S,4S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-cyclohexanone (2S,4S)-2-[[(2S,6R)-2,6-dimethyl…

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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) 1.87 5.1 -6.56 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 1.87 7.25 -39.13 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2R,4R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-cyclohexanone (2R,4R)-2-[[(2S,6R)-2,6-dimethyl…

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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) 1.87 5.21 -5.53 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 1.87 7.25 -38.51 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2R,4S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-cyclohexanone (2R,4S)-2-[[(2S,6R)-2,6-dimethyl…

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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) 1.87 5.42 -5.58 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 1.87 7.47 -38.87 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2S,4R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-cyclohexanone (2S,4R)-2-[[(2S,6R)-2,6-dimethyl…

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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) 2.56 6.45 -5.9 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.56 8.29 -33.63 1 3 1 31 254.394 3 ↓

Analogs

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Popular Name: (2S,4S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-cyclohexanone (2S,4S)-2-[[(2S,6R)-2,6-dimethyl…

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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) 2.56 5.74 -6.49 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.56 7.89 -39.5 1 3 1 31 254.394 3 ↓

Analogs

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Popular Name: (2R,4R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-cyclohexanone (2R,4R)-2-[[(2S,6R)-2,6-dimethyl…

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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) 2.56 5.81 -6.69 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.56 7.89 -39.48 1 3 1 31 254.394 3 ↓

Analogs

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Popular Name: (2R,4S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-cyclohexanone (2R,4S)-2-[[(2S,6R)-2,6-dimethyl…

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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) 2.56 6.06 -5.52 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.56 8.11 -39.36 1 3 1 31 254.394 3 ↓

Analogs

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Popular Name: (2S,4R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(2S,6R)-2,6-dimethyl…

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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 7.21 -5.96 0 3 0 30 267.413 4 ↓
Mid Mid (pH 6-8) 3.12 9.04 -33.76 1 3 1 31 268.421 4 ↓

Analogs

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Popular Name: (2S,4S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[(2S,6R)-2,6-dimethyl…

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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 6.49 -6.52 0 3 0 30 267.413 4 ↓
Mid Mid (pH 6-8) 3.12 8.65 -39.87 1 3 1 31 268.421 4 ↓

Analogs

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Popular Name: (2R,4R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[(2S,6R)-2,6-dimethyl…

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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 6.56 -6.68 0 3 0 30 267.413 4 ↓
Mid Mid (pH 6-8) 3.12 8.65 -39.88 1 3 1 31 268.421 4 ↓

Analogs

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Popular Name: (2R,4S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[(2S,6R)-2,6-dimethyl…

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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 6.81 -5.54 0 3 0 30 267.413 4 ↓
Mid Mid (pH 6-8) 3.12 8.86 -39.64 1 3 1 31 268.421 4 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2S,6R)…

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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) 3.20 6.82 -5.4 0 3 0 30 281.44 3 ↓
Mid Mid (pH 6-8) 3.20 8.86 -40.26 1 3 1 31 282.448 3 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2S,6S)…

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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) 3.20 7.12 -5.24 0 3 0 30 281.44 3 ↓
Mid Mid (pH 6-8) 3.20 8.82 -39.15 1 3 1 31 282.448 3 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2R,6R)…

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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) 3.20 7.11 -5.28 0 3 0 30 281.44 3 ↓
Mid Mid (pH 6-8) 3.20 8.84 -39.23 1 3 1 31 282.448 3 ↓

Analogs

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Popular Name: (2S,4R)-4-methyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[(2R)-2-meth…

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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) 1.51 4.66 -5.61 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.51 6.73 -38.79 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S,4S)-4-methyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[(2R)-2-meth…

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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) 1.51 4.42 -6.71 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.51 6.51 -39.12 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2R,4R)-4-methyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4R)-4-methyl-2-[[(2R)-2-meth…

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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) 1.51 4.85 -5.82 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.51 6.69 -32.84 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2R,4S)-4-methyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4S)-4-methyl-2-[[(2R)-2-meth…

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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) 1.51 5.06 -5.95 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.51 6.9 -33.32 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S,4R)-4-ethyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[(2R)-2-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) 2.20 5.3 -5.57 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.20 7.37 -39.3 1 3 1 31 240.367 3 ↓

Analogs

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Popular Name: (2S,4S)-4-ethyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(2R)-2-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) 2.20 5.06 -6.66 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.20 7.15 -39.45 1 3 1 31 240.367 3 ↓

Analogs

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Popular Name: (2R,4R)-4-ethyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(2R)-2-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) 2.20 4.99 -6.46 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.20 7.15 -39.34 1 3 1 31 240.367 3 ↓

Analogs

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Popular Name: (2R,4S)-4-ethyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[(2R)-2-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) 2.20 5.7 -5.83 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.20 7.54 -33.65 1 3 1 31 240.367 3 ↓

Analogs

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Popular Name: (2S,4R)-2-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(2R)-2-methylmorphol…

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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) 2.75 6.05 -5.53 0 3 0 30 253.386 4 ↓
Mid Mid (pH 6-8) 2.75 8.13 -39.52 1 3 1 31 254.394 4 ↓

Analogs

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Popular Name: (2S,4S)-2-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[(2R)-2-methylmorphol…

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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) 2.75 5.81 -6.69 0 3 0 30 253.386 4 ↓
Mid Mid (pH 6-8) 2.75 7.9 -39.77 1 3 1 31 254.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[(2R)-2-methylmorphol…

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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) 2.75 5.75 -6.45 0 3 0 30 253.386 4 ↓
Mid Mid (pH 6-8) 2.75 7.9 -39.71 1 3 1 31 254.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[(2R)-2-methylmorphol…

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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) 2.75 6.46 -5.83 0 3 0 30 253.386 4 ↓
Mid Mid (pH 6-8) 2.75 8.3 -33.78 1 3 1 31 254.394 4 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2R)-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) 2.84 6.07 -5.41 0 3 0 30 267.413 3 ↓
Mid Mid (pH 6-8) 2.84 8.13 -40.13 1 3 1 31 268.421 3 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-[[(2S)-2-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(2S)-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) 2.84 6.45 -5.68 0 3 0 30 267.413 3 ↓
Mid Mid (pH 6-8) 2.84 8.31 -34.4 1 3 1 31 268.421 3 ↓

Analogs

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Popular Name: (2S,4R)-4-methyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[(3S)-3-meth…

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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) 1.48 4.91 -5.54 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.48 6.67 -31.77 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S,4S)-4-methyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4S)-4-methyl-2-[[(3S)-3-meth…

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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) 1.48 4.2 -6.39 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.48 6.26 -36.32 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2R,4R)-4-methyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4R)-4-methyl-2-[[(3S)-3-meth…

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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) 1.48 4.29 -5.53 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.48 6.28 -36.22 1 3 1 31 226.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4S)-4-methyl-2-[[(3S)-3-meth…

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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) 1.48 4.5 -5.67 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.48 6.5 -36.64 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S,4R)-4-ethyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[(3S)-3-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) 2.16 5.55 -5.44 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.16 7.31 -32.08 1 3 1 31 240.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(3S)-3-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) 2.16 4.84 -6.3 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.16 6.9 -36.68 1 3 1 31 240.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(3S)-3-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) 2.16 4.64 -5.75 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.16 6.79 -36.02 1 3 1 31 240.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[(3S)-3-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) 2.16 5.14 -5.53 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.16 7.14 -37.02 1 3 1 31 240.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(3S)-3-methylmorphol…

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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) 2.72 6.3 -5.47 0 3 0 30 253.386 4 ↓
Mid Mid (pH 6-8) 2.72 8.07 -32.28 1 3 1 31 254.394 4 ↓

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 = 115218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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