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Analogs

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Popular Name: N-methyl-1-[3-(morpholinomethyl)benzofuran-2-yl]methanamine N-methyl-1-[3-(morpholinomethyl)…

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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 3.71 -43.68 2 4 1 42 261.345 4 ↓
Mid Mid (pH 6-8) 1.64 6 -112.02 3 4 2 43 262.353 4 ↓

Analogs

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Popular Name: N-[[3-(morpholinomethyl)benzofuran-2-yl]methyl]ethanamine N-[[3-(morpholinomethyl)benzofur…

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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) 2.01 4.57 -42.47 2 4 1 42 275.372 5 ↓
Mid Mid (pH 6-8) 2.01 6.86 -112.2 3 4 2 43 276.38 5 ↓

Analogs

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Popular Name: N-[[3-(morpholinomethyl)benzofuran-2-yl]methyl]propan-1-amine N-[[3-(morpholinomethyl)benzofur…

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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) 2.52 5.33 -43.26 2 4 1 42 289.399 6 ↓
Mid Mid (pH 6-8) 2.52 7.61 -114.1 3 4 2 43 290.407 6 ↓

Analogs

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Popular Name: N-[[3-(morpholinomethyl)benzofuran-2-yl]methyl]propan-2-amine N-[[3-(morpholinomethyl)benzofur…

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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 5.1 -40.53 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.31 7.37 -109.2 3 4 2 43 290.407 5 ↓

Analogs

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Popular Name: [3-(morpholinomethyl)benzofuran-2-yl]methanamine [3-(morpholinomethyl)benzofuran-…

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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) 1.26 2.06 -47.52 3 4 1 53 247.318 3 ↓
Mid Mid (pH 6-8) 1.26 4.55 -122.62 4 4 2 54 248.326 3 ↓

Analogs

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Popular Name: 1-[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2S,6R)-2,6-dimethylmorph…

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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) 2.36 5.21 -44.21 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.36 7.5 -113.61 3 4 2 43 290.407 4 ↓

Analogs

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Popular Name: 1-[3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2S,6S)-2,6-dimethylmorph…

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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) 2.36 5.49 -43.85 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.36 7.45 -113.57 3 4 2 43 290.407 4 ↓

Analogs

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Popular Name: 1-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2R,6R)-2,6-dimethylmorph…

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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) 2.36 5.71 -44.52 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.36 7.65 -115.61 3 4 2 43 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S,6R)-2,6-dimethylmorphol…

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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) 1.99 3.34 -50.32 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 1.99 5.62 -120.25 4 4 2 54 276.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S,6S)-2,6-dimethylmorphol…

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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) 1.99 3.62 -49.98 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 1.99 5.58 -120.21 4 4 2 54 276.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R,6R)-2,6-dimethylmorphol…

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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) 1.99 3.62 -49.74 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 1.99 5.6 -120.25 4 4 2 54 276.38 3 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(2R)-2-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(2R)-2-methylmor…

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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) 2.00 4.46 -43.81 2 4 1 42 275.372 4 ↓
Mid Mid (pH 6-8) 2.00 6.75 -112.94 3 4 2 43 276.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[[(2S)-2-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(2S)-2-methylmor…

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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) 2.00 4.68 -44.27 2 4 1 42 275.372 4 ↓
Mid Mid (pH 6-8) 2.00 6.96 -115.64 3 4 2 43 276.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(2R)-2-methylmorpholin-4…

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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) 2.38 5.32 -42.57 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.38 7.61 -113.11 3 4 2 43 290.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(2S)-2-methylmorpholin-4…

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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) 2.38 5.55 -43.13 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.38 7.83 -116.05 3 4 2 43 290.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R)-2-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R)-2-methylmorpholin-4-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) 1.63 2.59 -49.97 3 4 1 53 261.345 3 ↓
Mid Mid (pH 6-8) 1.63 4.88 -119.49 4 4 2 54 262.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S)-2-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S)-2-methylmorpholin-4-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) 1.63 2.81 -50.37 3 4 1 53 261.345 3 ↓
Mid Mid (pH 6-8) 1.63 5.08 -121.96 4 4 2 54 262.353 3 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(3R)-3-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(3R)-3-methylmor…

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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) 1.97 4.32 -43.48 2 4 1 42 275.372 4 ↓
Mid Mid (pH 6-8) 1.97 6.52 -109.86 3 4 2 43 276.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[[(3S)-3-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(3S)-3-methylmor…

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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) 1.97 4.53 -44.27 2 4 1 42 275.372 4 ↓
Mid Mid (pH 6-8) 1.97 6.71 -110.72 3 4 2 43 276.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(3S)-3-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(3S)-3-methylmorpholin-4…

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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 5.4 -43.02 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.34 7.58 -111.03 3 4 2 43 290.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(3R)-3-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(3R)-3-methylmorpholin-4…

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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 5.17 -42.24 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.34 7.38 -110.06 3 4 2 43 290.407 5 ↓

Analogs

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Popular Name: [3-[[(3R)-3-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(3R)-3-methylmorpholin-4-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) 1.59 2.44 -49.66 3 4 1 53 261.345 3 ↓
Mid Mid (pH 6-8) 1.59 4.64 -116.55 4 4 2 54 262.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3S)-3-methylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(3S)-3-methylmorpholin-4-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) 1.59 2.66 -50.35 3 4 1 53 261.345 3 ↓
Mid Mid (pH 6-8) 1.59 4.84 -117.08 4 4 2 54 262.353 3 ↓

Analogs

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Popular Name: 1-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2R,5R)-2,5-dimethylmorph…

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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) 2.33 5.13 -44.01 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.33 7.28 -114.21 3 4 2 43 290.407 4 ↓

Analogs

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Popular Name: 1-[3-[[(2S,5R)-2,5-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2S,5R)-2,5-dimethylmorph…

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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) 2.33 5.06 -43.89 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.33 7.26 -110.4 3 4 2 43 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R,5R)-2,5-dimethylmorphol…

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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) 1.96 3.26 -50.09 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 1.96 5.41 -120.73 4 4 2 54 276.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,5R)-2,5-dimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S,5R)-2,5-dimethylmorphol…

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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) 1.96 3.19 -50.05 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 1.96 5.39 -117.1 4 4 2 54 276.38 3 ↓

Analogs

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Popular Name: 1-[3-[[(2R)-2-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2R)-2-ethylmorpholin-4-y…

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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) 2.50 5.3 -43.73 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.50 7.58 -114.15 3 4 2 43 290.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(2S)-2-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2S)-2-ethylmorpholin-4-y…

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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) 2.50 5.52 -44.27 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.50 7.77 -116.92 3 4 2 43 290.407 5 ↓

Analogs

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Popular Name: [3-[[(2R)-2-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R)-2-ethylmorpholin-4-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) 2.13 3.42 -49.89 3 4 1 53 275.372 4 ↓
Mid Mid (pH 6-8) 2.13 5.7 -120.72 4 4 2 54 276.38 4 ↓

Analogs

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Popular Name: [3-[[(2S)-2-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S)-2-ethylmorpholin-4-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) 2.13 3.64 -50.35 3 4 1 53 275.372 4 ↓
Mid Mid (pH 6-8) 2.13 5.9 -123.26 4 4 2 54 276.38 4 ↓

Analogs

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Popular Name: 1-[3-[[(3R)-3-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(3R)-3-ethylmorpholin-4-y…

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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) 2.50 4.94 -43.57 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.50 7.13 -110.96 3 4 2 43 290.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(3S)-3-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(3S)-3-ethylmorpholin-4-y…

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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) 2.50 5.2 -44.7 2 4 1 42 289.399 5 ↓
Mid Mid (pH 6-8) 2.50 7.35 -112.18 3 4 2 43 290.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3R)-3-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(3R)-3-ethylmorpholin-4-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) 2.13 3.06 -49.7 3 4 1 53 275.372 4 ↓
Mid Mid (pH 6-8) 2.13 5.25 -117.65 4 4 2 54 276.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3S)-3-ethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(3S)-3-ethylmorpholin-4-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) 2.13 3.34 -50.81 3 4 1 53 275.372 4 ↓
Mid Mid (pH 6-8) 2.13 5.48 -118.69 4 4 2 54 276.38 4 ↓

Analogs

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Popular Name: 1-[3-[(2,2-dimethylmorpholin-4-yl)methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[(2,2-dimethylmorpholin-4-y…

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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) 2.45 5.38 -43.5 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.45 7.35 -113.59 3 4 2 43 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2,2-dimethylmorpholin-4-yl)methyl]benzofuran-2-yl]methanamine [3-[(2,2-dimethylmorpholin-4-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) 2.07 3.5 -49.67 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 2.07 5.48 -120.15 4 4 2 54 276.38 3 ↓

Analogs

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Popular Name: [3-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(6R)-2,2,6-trimethylmorphol…

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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) 2.44 4.45 -50.97 3 4 1 53 289.399 3 ↓
Mid Mid (pH 6-8) 2.44 6.41 -123.09 4 4 2 54 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(6S)-2,2,6-trimethylmorphol…

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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) 2.44 4.23 -50.05 3 4 1 53 289.399 3 ↓
Mid Mid (pH 6-8) 2.44 6.21 -120.9 4 4 2 54 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[(3,3-dimethylmorpholin-4-y…

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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) 2.45 4.92 -44.25 2 4 1 42 289.399 4 ↓
Mid Mid (pH 6-8) 2.45 7.01 -109.84 3 4 2 43 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3,3-dimethylmorpholin-4-yl)methyl]benzofuran-2-yl]methanamine [3-[(3,3-dimethylmorpholin-4-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) 2.07 3.05 -50.34 3 4 1 53 275.372 3 ↓
Mid Mid (pH 6-8) 2.07 5.14 -116.32 4 4 2 54 276.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R,5R)-5-ethyl-2-methyl-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) 2.49 4.09 -49.56 3 4 1 53 289.399 4 ↓
Mid Mid (pH 6-8) 2.49 5.98 -118.41 4 4 2 54 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R,5S)-5-ethyl-2-methyl-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) 2.49 4.08 -50.83 3 4 1 53 289.399 4 ↓
Mid Mid (pH 6-8) 2.49 6.23 -119.41 4 4 2 54 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S,5R)-5-ethyl-2-methyl-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) 2.49 3.82 -50.13 3 4 1 53 289.399 4 ↓
Mid Mid (pH 6-8) 2.49 6.01 -118.21 4 4 2 54 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S,5S)-5-ethyl-2-methyl-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) 2.49 4.35 -51.16 3 4 1 53 289.399 4 ↓
Mid Mid (pH 6-8) 2.49 6.21 -118.57 4 4 2 54 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,3-dimethylmorpholin-4-yl)methyl]benzofuran-2-carboxylic 3-[(3,3-dimethylmorpholin-4-yl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.74 -51.97 0 5 -1 66 288.323 3 ↓
Mid Mid (pH 6-8) 2.46 7.82 -40.16 1 5 0 67 289.331 3 ↓

Parameters Provided:

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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 = 225080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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