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Analogs

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Popular Name: (1-cyclopropyl-2-morpholin-4-ylethyl)amine (1-cyclopropyl-2-morpholin-4-yle…

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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) -0.08 0.96 -39.67 3 3 1 40 171.264 3 ↓
Lo Low (pH 4.5-6) -0.08 2.79 -120.13 4 3 2 41 172.272 3 ↓

Analogs

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Popular Name: (1-cyclopropyl-2-morpholin-4-ylethyl)amine (1-cyclopropyl-2-morpholin-4-yle…

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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) -0.08 0.85 -39.88 3 3 1 40 171.264 3 ↓
Lo Low (pH 4.5-6) -0.08 2.78 -120.31 4 3 2 41 172.272 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-morpholino-ethanamine (1R)-1-cyclopropyl-N-methyl-2-mo…

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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) 0.83 2.35 -35.58 2 3 1 29 185.291 4 ↓
Lo Low (pH 4.5-6) 0.83 4.3 -113.85 3 3 2 30 186.299 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-morpholino-ethanamine (1S)-1-cyclopropyl-N-methyl-2-mo…

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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) 0.83 2.61 -38.65 2 3 1 29 185.291 4 ↓
Lo Low (pH 4.5-6) 0.83 4.6 -108.73 3 3 2 30 186.299 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-morpholino-ethanamine (1R)-1-cyclopropyl-N-ethyl-2-mor…

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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) 1.21 3.19 -34.25 2 3 1 29 199.318 5 ↓
Lo Low (pH 4.5-6) 1.21 5.12 -113.41 3 3 2 30 200.326 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-morpholino-ethanamine (1S)-1-cyclopropyl-N-ethyl-2-mor…

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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) 1.21 3.43 -37.04 2 3 1 29 199.318 5 ↓
Lo Low (pH 4.5-6) 1.21 5.44 -109.29 3 3 2 30 200.326 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-morpholino-ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-morpholi…

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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 3.95 -34.94 2 3 1 29 213.345 6 ↓
Lo Low (pH 4.5-6) 1.71 5.88 -115.55 3 3 2 30 214.353 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-morpholino-ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-morpholi…

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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 4.19 -37.79 2 3 1 29 213.345 6 ↓
Lo Low (pH 4.5-6) 1.71 6.2 -111.16 3 3 2 30 214.353 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2S,6R)-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) 0.65 2.35 -40.63 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.65 4.28 -123.67 4 3 2 41 200.326 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2S,6S)-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) 0.65 2.64 -41.13 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.65 4.22 -122.3 4 3 2 41 200.326 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2R,6R)-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) 0.65 2.65 -40.96 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.65 4.24 -121.96 4 3 2 41 200.326 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2S,6R)-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) 1.56 3.84 -36.35 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.56 5.8 -116.97 3 3 2 30 214.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2S,6S)-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) 1.56 4.12 -36.82 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.56 5.74 -115.65 3 3 2 30 214.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2R,6R)-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) 1.56 4.52 -39 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.56 5.76 -115.81 3 3 2 30 214.353 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-[(2S,6R)-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) 1.93 4.49 -37.33 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.93 6.56 -110.96 3 3 2 30 228.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-[(2S,6R)-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) 1.93 4.63 -34.96 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.93 6.61 -116.58 3 3 2 30 228.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-[(2R,6R)-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) 1.93 4.97 -35.14 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.93 6.59 -114.7 3 3 2 30 228.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-[(2R,6R)-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) 1.93 5.21 -37.44 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.93 6.9 -111.21 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2R)-2-met…

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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) 0.28 1.6 -40.19 3 3 1 40 185.291 3 ↓
Lo Low (pH 4.5-6) 0.28 3.53 -121.94 4 3 2 41 186.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2S)-2-met…

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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) 0.28 1.56 -40.19 3 3 1 40 185.291 3 ↓
Lo Low (pH 4.5-6) 0.28 3.53 -122.18 4 3 2 41 186.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-methyl-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) 1.19 3.09 -35.92 2 3 1 29 199.318 4 ↓
Lo Low (pH 4.5-6) 1.19 5.04 -115.44 3 3 2 30 200.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-methyl-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) 1.19 2.88 -38.51 2 3 1 29 199.318 4 ↓
Lo Low (pH 4.5-6) 1.19 4.98 -108.71 3 3 2 30 200.326 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-ethyl-2-[(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) 1.57 3.94 -34.53 2 3 1 29 213.345 5 ↓
Lo Low (pH 4.5-6) 1.57 5.87 -114.98 3 3 2 30 214.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (1S)-1-cyclopropyl-N-ethyl-2-[(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) 1.57 3.67 -37.04 2 3 1 29 213.345 5 ↓
Lo Low (pH 4.5-6) 1.57 5.82 -109.28 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-[(2R)-2-methylmorpholin-4-yl]ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-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) 2.07 4.7 -35.17 2 3 1 29 227.372 6 ↓
Lo Low (pH 4.5-6) 2.07 6.63 -117.14 3 3 2 30 228.38 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-[(2R)-2-methylmorpholin-4-yl]ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-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) 2.07 4.93 -37.98 2 3 1 29 227.372 6 ↓
Lo Low (pH 4.5-6) 2.07 6.96 -112.53 3 3 2 30 228.38 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(3R)-3-met…

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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) 0.25 1.62 -40.39 3 3 1 40 185.291 3 ↓
Lo Low (pH 4.5-6) 0.25 3.48 -118.57 4 3 2 41 186.299 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3S)-3-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(3S)-3-met…

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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) 0.25 0.99 -43.75 3 3 1 40 185.291 3 ↓
Lo Low (pH 4.5-6) 0.25 3.01 -112 4 3 2 41 186.299 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-methyl-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) 1.16 2.94 -35.76 2 3 1 29 199.318 4 ↓
Lo Low (pH 4.5-6) 1.16 4.81 -111.45 3 3 2 30 200.326 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-methyl-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) 1.16 2.71 -38.36 2 3 1 29 199.318 4 ↓
Lo Low (pH 4.5-6) 1.16 4.72 -105.7 3 3 2 30 200.326 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-[(3S)-3-methylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-ethyl-2-[(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) 1.54 3.59 -36.89 2 3 1 29 213.345 5 ↓
Lo Low (pH 4.5-6) 1.54 5.57 -106.39 3 3 2 30 214.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-[(3S)-3-methylmorpholin-4-yl]ethanamine (1S)-1-cyclopropyl-N-ethyl-2-[(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) 1.54 5.75 -34.24 2 3 1 29 213.345 5 ↓
Lo Low (pH 4.5-6) 1.54 5.64 -110.71 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-[(3S)-3-methylmorpholin-4-yl]ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-[(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) 2.04 4.34 -37.66 2 3 1 29 227.372 6 ↓
Lo Low (pH 4.5-6) 2.04 6.32 -108.23 3 3 2 30 228.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-[(3S)-3-methylmorpholin-4-yl]ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-[(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) 2.04 6.51 -34.88 2 3 1 29 227.372 6 ↓
Lo Low (pH 4.5-6) 2.04 6.39 -112.76 3 3 2 30 228.38 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2R,5R)-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) 0.62 1.99 -40.28 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.62 3.87 -121.31 4 3 2 41 200.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2S,5R)-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) 0.62 2.19 -40.52 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.62 4.04 -119.57 4 3 2 41 200.326 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2R,5R)-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) 1.52 3.33 -38.64 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.52 5.31 -107.64 3 3 2 30 214.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2S,5R)-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) 1.52 3.78 -35.91 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.52 5.56 -113.21 3 3 2 30 214.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-[(2S,5S)-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) 1.90 4.37 -34.63 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.90 6.21 -114.07 3 3 2 30 228.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-[(2S,5S)-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) 1.90 4.64 -37.35 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.90 6.52 -109.2 3 3 2 30 228.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2R)-2-eth…

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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) 0.79 2.44 -40.08 3 3 1 40 199.318 4 ↓
Lo Low (pH 4.5-6) 0.79 4.36 -123.11 4 3 2 41 200.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S)-2-ethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-2-[(2S)-2-eth…

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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) 0.79 2.39 -40.24 3 3 1 40 199.318 4 ↓
Lo Low (pH 4.5-6) 0.79 4.36 -123.55 4 3 2 41 200.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2R)-2-eth…

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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) 1.70 3.93 -35.81 2 3 1 29 213.345 5 ↓
Lo Low (pH 4.5-6) 1.70 5.86 -116.57 3 3 2 30 214.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2S)-2-ethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2S)-2-eth…

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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) 1.70 3.71 -38.35 2 3 1 29 213.345 5 ↓
Lo Low (pH 4.5-6) 1.70 5.8 -109.83 3 3 2 30 214.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-[(2R)-2-ethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-ethyl-2-[(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) 2.07 4.73 -34.46 2 3 1 29 227.372 6 ↓
Lo Low (pH 4.5-6) 2.07 6.74 -116.19 3 3 2 30 228.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-[(2S)-2-ethylmorpholin-4-yl]ethanamine (1R)-1-cyclopropyl-N-ethyl-2-[(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) 2.07 4.56 -36.97 2 3 1 29 227.372 6 ↓
Lo Low (pH 4.5-6) 2.07 6.64 -110.39 3 3 2 30 228.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2,2-dimethylmorpholin-4-yl)ethanamine (1R)-1-cyclopropyl-2-(2,2-dimeth…

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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) 0.73 2.53 -41.11 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.73 4.12 -122.34 4 3 2 41 200.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2,2-dimethylmorpholin-4-yl)ethanamine (1S)-1-cyclopropyl-2-(2,2-dimeth…

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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) 0.73 2.73 -41.4 3 3 1 40 199.318 3 ↓
Lo Low (pH 4.5-6) 0.73 4.32 -122.9 4 3 2 41 200.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2,2-dimethylmorpholin-4-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(2,2-dimeth…

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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) 1.64 4.01 -36.72 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.64 5.62 -115.68 3 3 2 30 214.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2,2-dimethylmorpholin-4-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(2,2-dimeth…

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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) 1.64 3.8 -38.62 2 3 1 29 213.345 4 ↓
Lo Low (pH 4.5-6) 1.64 5.56 -109.59 3 3 2 30 214.353 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 243581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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