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Analogs

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Popular Name: 4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]morpholine 4-[[(3S)-3-methylpyrrolidin-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) 0.72 1.59 -39.4 2 3 1 29 185.291 2 ↓
Mid Mid (pH 6-8) 0.72 3.29 -100.68 3 3 2 30 186.299 2 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine 4-[[(3R)-3-methylpyrrolidin-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) 0.72 1.69 -39.93 2 3 1 29 185.291 2 ↓
Mid Mid (pH 6-8) 0.72 3.41 -99.05 3 3 2 30 186.299 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]morpholine 4-[[(3S)-3-ethylpyrrolidin-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) 1.05 2.53 -38.03 2 3 1 29 199.318 3 ↓
Mid Mid (pH 6-8) 1.05 3.88 -102.04 3 3 2 30 200.326 3 ↓

Analogs

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Popular Name: 4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]morpholine 4-[[(3R)-3-ethylpyrrolidin-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) 1.05 2.11 -40.3 2 3 1 29 199.318 3 ↓
Mid Mid (pH 6-8) 1.05 3.79 -100.61 3 3 2 30 200.326 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine 4-[[(3S)-3-propylpyrrolidin-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) 1.61 3.3 -38.45 2 3 1 29 213.345 4 ↓
Mid Mid (pH 6-8) 1.61 4.66 -103.95 3 3 2 30 214.353 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine 4-[[(3R)-3-propylpyrrolidin-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) 1.61 2.85 -41.21 2 3 1 29 213.345 4 ↓
Mid Mid (pH 6-8) 1.61 4.53 -102.62 3 3 2 30 214.353 4 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2S,6R)-2,6-dimethyl-4-[[(3R)-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) 1.45 3.28 -40.49 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.45 4.92 -101.08 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2S,6S)-2,6-dimethyl-4-[[(3R)-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) 1.45 3.56 -40.08 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.45 4.87 -100.68 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2R,6R)-2,6-dimethyl-4-[[(3R)-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) 1.45 3.56 -40.12 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.45 4.88 -100.71 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2S,6R)-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2,6-dimethyl-morpholine (2S,6R)-4-[[(3S)-3-ethylpyrrolid…

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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) 1.78 3.56 -40.99 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.78 5.37 -104.1 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2S,6R)-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2,6-dimethyl-morpholine (2S,6R)-4-[[(3R)-3-ethylpyrrolid…

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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) 1.78 3.6 -40.97 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.78 5.26 -102.78 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2R,6R)-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2,6-dimethyl-morpholine (2R,6R)-4-[[(3S)-3-ethylpyrrolid…

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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) 1.78 4.32 -39.36 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.78 5.34 -103.58 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2R,6R)-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2,6-dimethyl-morpholine (2R,6R)-4-[[(3R)-3-ethylpyrrolid…

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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) 1.78 3.89 -40.51 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.78 5.22 -102.31 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine (2S,6R)-2,6-dimethyl-4-[[(3S)-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) 2.34 4.32 -41.4 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.34 6.14 -105.97 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine (2S,6R)-2,6-dimethyl-4-[[(3R)-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) 2.34 4.34 -41.87 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.34 6 -104.87 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine (2R,6R)-2,6-dimethyl-4-[[(3S)-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) 2.34 5.1 -39.87 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.34 6.1 -105.35 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine (2R,6R)-2,6-dimethyl-4-[[(3R)-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) 2.34 4.64 -41.39 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.34 5.97 -104.36 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2R)-2-methyl-4-[[(3R)-3-methylp…

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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) 1.08 2.53 -40.33 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 1.08 4.19 -100.04 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2S)-2-methyl-4-[[(3R)-3-methylp…

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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) 1.08 2.52 -40.1 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 1.08 4.18 -100.02 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: (2R)-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-morpholine (2R)-4-[[(3S)-3-ethylpyrrolidin-…

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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) 1.42 3.28 -38.56 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.42 4.64 -103.11 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (2R)-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-morpholine (2R)-4-[[(3R)-3-ethylpyrrolidin-…

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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) 1.42 2.85 -40.75 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.42 4.54 -101.73 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (2R)-2-methyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine (2R)-2-methyl-4-[[(3S)-3-propylp…

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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) 1.98 4.03 -39.01 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.98 5.39 -104.99 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine (2R)-2-methyl-4-[[(3R)-3-propylp…

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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) 1.98 3.6 -41.63 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.98 5.27 -103.83 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (3R)-3-methyl-4-[[(3R)-3-methylp…

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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) 1.05 2.31 -39.54 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 1.05 3.86 -99.71 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (3S)-3-methyl-4-[[(3R)-3-methylp…

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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) 1.05 2.37 -40.05 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 1.05 3.95 -97.6 3 3 2 30 200.326 2 ↓

Analogs

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Popular Name: (3S)-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-morpholine (3S)-4-[[(3S)-3-ethylpyrrolidin-…

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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) 1.38 2.62 -40.26 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.38 4.37 -100.98 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (3S)-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-3-methyl-morpholine (3S)-4-[[(3R)-3-ethylpyrrolidin-…

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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) 1.38 2.7 -40.47 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.38 4.29 -99.12 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine (3S)-3-methyl-4-[[(3S)-3-propylp…

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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) 1.94 3.38 -40.68 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.94 5.13 -102.75 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine (3S)-3-methyl-4-[[(3R)-3-propylp…

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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) 1.94 3.45 -41.38 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.94 5.05 -101.21 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: (2R,5R)-2,5-dimethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2R,5R)-2,5-dimethyl-4-[[(3R)-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) 1.41 3 -40.1 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.41 4.52 -99.2 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2S,5R)-2,5-dimethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2S,5R)-2,5-dimethyl-4-[[(3R)-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) 1.41 3.26 -39.92 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.41 4.61 -100.59 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: (2S,5S)-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2,5-dimethyl-morpholine (2S,5S)-4-[[(3S)-3-ethylpyrrolid…

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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) 1.75 3.7 -38.19 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.75 4.96 -100.73 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2S,5S)-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2,5-dimethyl-morpholine (2S,5S)-4-[[(3R)-3-ethylpyrrolid…

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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) 1.75 3.3 -40.7 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.75 4.82 -100.39 3 3 2 30 228.38 3 ↓

Analogs

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Popular Name: (2S,5S)-2,5-dimethyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine (2S,5S)-2,5-dimethyl-4-[[(3S)-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) 2.31 4.46 -38.64 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.31 5.73 -102.52 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: (2S,5S)-2,5-dimethyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine (2S,5S)-2,5-dimethyl-4-[[(3R)-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) 2.31 4.04 -41.65 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.31 5.57 -102.4 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: (2R)-2-ethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2R)-2-ethyl-4-[[(3R)-3-methylpy…

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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) 1.59 3.35 -40.27 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.59 5.02 -101.22 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (2S)-2-ethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (2S)-2-ethyl-4-[[(3R)-3-methylpy…

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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) 1.59 3.35 -39.93 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.59 5.01 -100.93 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]morpholine (2R)-2-ethyl-4-[[(3R)-3-ethylpyr…

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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) 1.92 3.74 -40.71 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.92 5.37 -102.85 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]morpholine (2S)-2-ethyl-4-[[(3R)-3-ethylpyr…

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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) 1.92 3.73 -40.38 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.92 5.38 -102.56 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine (2R)-2-ethyl-4-[[(3S)-3-propylpy…

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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) 2.48 4.87 -39.06 2 3 1 29 241.399 5 ↓
Mid Mid (pH 6-8) 2.48 6.22 -106.48 3 3 2 30 242.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine (2R)-2-ethyl-4-[[(3R)-3-propylpy…

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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) 2.48 4.43 -41.63 2 3 1 29 241.399 5 ↓
Mid Mid (pH 6-8) 2.48 6.1 -104.97 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: 2,2-dimethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine 2,2-dimethyl-4-[[(3R)-3-methylpy…

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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) 1.53 3.37 -40.44 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.53 4.76 -100.76 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]morpholine 2,2-dimethyl-4-[[(3S)-3-methylpy…

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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) 1.53 3.19 -39.66 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.53 4.63 -102.26 3 3 2 30 214.353 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2,2-dimethyl-morpholine 4-[[(3S)-3-ethylpyrrolidin-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) 1.86 4.15 -39.37 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.86 5.24 -103.62 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2,2-dimethyl-morpholine 4-[[(3R)-3-ethylpyrrolidin-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) 1.86 3.79 -40.76 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.86 5.13 -102.37 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]morpholine 2,2-dimethyl-4-[[(3S)-3-propylpy…

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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) 2.42 4.91 -39.87 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.42 5.99 -105.41 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]morpholine 2,2-dimethyl-4-[[(3R)-3-propylpy…

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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) 2.42 4.53 -41.34 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.42 5.87 -104.33 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (3R)-3-ethyl-4-[[(3R)-3-methylpy…

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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) 1.59 2.62 -40.02 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.59 4.59 -98.72 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]morpholine (3S)-3-ethyl-4-[[(3R)-3-methylpy…

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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) 1.59 2.98 -40.16 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.59 4.58 -98.86 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]morpholine (3R)-3-ethyl-4-[[(3R)-3-ethylpyr…

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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) 1.92 2.98 -40.23 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.92 4.94 -99.94 3 3 2 30 228.38 4 ↓

Parameters Provided:

ring.id = 306428
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 = 306428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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