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Analogs

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Popular Name: 4-methyl-N-(2-morpholinoethyl)-3-nitro-aniline 4-methyl-N-(2-morpholinoethyl)-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) 2.01 3.92 -8.25 1 6 0 70 265.313 5 ↓
Mid Mid (pH 6-8) 2.01 6.19 -50.77 2 6 1 72 266.321 5 ↓

Analogs

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Popular Name: 4-methyl-N1-(2-morpholinoethyl)benzene-1,3-diamine 4-methyl-N1-(2-morpholinoethyl)b…

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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 1.23 -4.71 3 4 0 51 235.331 4 ↓
Mid Mid (pH 6-8) 1.53 3.5 -39.56 4 4 1 52 236.339 4 ↓

Analogs

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Popular Name: 4-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-3-nitro-aniline 4-methyl-N-[(1S)-1-methyl-2-morp…

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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) 3.00 4.85 -8.24 1 6 0 70 279.34 5 ↓
Mid Mid (pH 6-8) 3.00 7.17 -48.01 2 6 1 72 280.348 5 ↓

Analogs

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Popular Name: 4-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-3-nitro-aniline 4-methyl-N-[(1R)-1-methyl-2-morp…

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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) 3.00 4.84 -8.12 1 6 0 70 279.34 5 ↓
Mid Mid (pH 6-8) 3.00 7.2 -47.96 2 6 1 72 280.348 5 ↓

Analogs

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Popular Name: 4-methyl-N1-[(1S)-1-methyl-2-morpholino-ethyl]benzene-1,3-diamine 4-methyl-N1-[(1S)-1-methyl-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) 2.53 2.18 -4.16 3 4 0 51 249.358 4 ↓
Mid Mid (pH 6-8) 2.53 4.49 -37.61 4 4 1 52 250.366 4 ↓

Analogs

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Popular Name: 4-methyl-N1-[(1R)-1-methyl-2-morpholino-ethyl]benzene-1,3-diamine 4-methyl-N1-[(1R)-1-methyl-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) 2.53 2.18 -4.21 3 4 0 51 249.358 4 ↓
Mid Mid (pH 6-8) 2.53 4.5 -37.59 4 4 1 52 250.366 4 ↓

Analogs

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Popular Name: N1-(2-morpholinoethyl)-4-nitro-benzene-1,2-diamine N1-(2-morpholinoethyl)-4-nitro-b…

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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) 1.04 1.45 -9.57 3 7 0 96 266.301 5 ↓
Mid Mid (pH 6-8) 1.04 3.72 -54.3 4 7 1 98 267.309 5 ↓

Analogs

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Popular Name: N1-[(1S)-1-methyl-2-morpholino-ethyl]-4-nitro-benzene-1,2-diamine N1-[(1S)-1-methyl-2-morpholino-e…

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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 2.42 -9.43 3 7 0 96 280.328 5 ↓
Mid Mid (pH 6-8) 2.04 4.7 -52.58 4 7 1 98 281.336 5 ↓

Analogs

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Popular Name: N1-[(1R)-1-methyl-2-morpholino-ethyl]-4-nitro-benzene-1,2-diamine N1-[(1R)-1-methyl-2-morpholino-e…

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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 2.37 -9.26 3 7 0 96 280.328 5 ↓
Mid Mid (pH 6-8) 2.04 4.71 -52.51 4 7 1 98 281.336 5 ↓

Analogs

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Popular Name: 5-chloro-2-(2-morpholinoethylamino)benzenecarbothioamide 5-chloro-2-(2-morpholinoethylami…

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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) 2.08 2.35 -11.68 3 4 0 51 299.827 5 ↓
Mid Mid (pH 6-8) 2.08 4.63 -52.53 4 4 1 52 300.835 5 ↓

Analogs

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Popular Name: 5-chloro-2-[[(1S)-1-methyl-2-morpholino-ethyl]amino]benzenecarbothioamide 5-chloro-2-[[(1S)-1-methyl-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) 3.07 3.79 -8.39 3 4 0 51 313.854 5 ↓
Mid Mid (pH 6-8) 3.07 5.63 -52.46 4 4 1 52 314.862 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(1R)-1-methyl-2-morpholino-ethyl]amino]benzenecarbothioamide 5-chloro-2-[[(1R)-1-methyl-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) 3.07 3.25 -11.62 3 4 0 51 313.854 5 ↓
Mid Mid (pH 6-8) 3.07 5.58 -51.64 4 4 1 52 314.862 5 ↓

Analogs

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Popular Name: 2-chloro-6-(2-morpholinoethylamino)benzenecarbothioamide 2-chloro-6-(2-morpholinoethylami…

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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) 2.05 2.26 -12.23 3 4 0 51 299.827 5 ↓
Mid Mid (pH 6-8) 2.05 4.52 -52.44 4 4 1 52 300.835 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(1S)-1-methyl-2-morpholino-ethyl]amino]benzenecarbothioamide 2-chloro-6-[[(1S)-1-methyl-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) 3.05 3.23 -11.65 3 4 0 51 313.854 5 ↓
Mid Mid (pH 6-8) 3.05 5.53 -51.82 4 4 1 52 314.862 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(1R)-1-methyl-2-morpholino-ethyl]amino]benzenecarbothioamide 2-chloro-6-[[(1R)-1-methyl-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) 3.05 3.15 -11.52 3 4 0 51 313.854 5 ↓
Mid Mid (pH 6-8) 3.05 5.48 -51.11 4 4 1 52 314.862 5 ↓

Analogs

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Popular Name: 5-fluoro-2-(2-morpholinoethylamino)benzonitrile 5-fluoro-2-(2-morpholinoethylami…

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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 3.05 -6.6 1 4 0 48 249.289 4 ↓
Mid Mid (pH 6-8) 1.52 5.32 -47.36 2 4 1 49 250.297 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-fluoro-aniline N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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 4.13 -4.7 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.56 6.41 -44.44 2 3 1 26 253.341 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-fluoro-aniline N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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 4.42 -4.45 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.56 6.39 -43.67 2 3 1 26 253.341 4 ↓

Analogs

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Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-fluoro-aniline N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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 4.42 -4.45 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.56 6.38 -43.69 2 3 1 26 253.341 4 ↓

Analogs

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Popular Name: 2-bromo-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-bromo-N-[2-[(2S,6R)-2,6-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) 3.16 4.78 -3.73 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.16 7.06 -40.61 2 3 1 26 314.247 4 ↓

Analogs

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Popular Name: 2-bromo-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-bromo-N-[2-[(2S,6S)-2,6-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) 3.16 5.08 -3.5 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.16 7.01 -39.83 2 3 1 26 314.247 4 ↓

Analogs

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Popular Name: 2-bromo-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-bromo-N-[2-[(2R,6R)-2,6-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) 3.16 5.07 -3.54 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.16 7.03 -39.86 2 3 1 26 314.247 4 ↓

Analogs

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Popular Name: 2-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-chloro-N-[2-[(2S,6R)-2,6-dimet…

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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) 3.03 4.66 -3.72 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.03 6.94 -40.56 2 3 1 26 269.796 4 ↓

Analogs

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Popular Name: 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-chloro-N-[2-[(2S,6S)-2,6-dimet…

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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) 3.03 4.95 -3.55 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.03 6.89 -39.81 2 3 1 26 269.796 4 ↓

Analogs

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Popular Name: 2-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-chloro-N-[2-[(2R,6R)-2,6-dimet…

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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) 3.03 4.95 -3.56 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.03 6.9 -39.82 2 3 1 26 269.796 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-methyl-aniline N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.82 4.73 -3.92 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.82 7.01 -40.26 2 3 1 26 249.378 4 ↓

Analogs

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Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-methyl-aniline N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.82 5.02 -3.65 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.82 6.99 -39.48 2 3 1 26 249.378 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-methyl-aniline N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.82 5.02 -3.69 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.82 6.98 -39.54 2 3 1 26 249.378 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-aniline N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.85 4.74 -3.77 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.85 7.02 -40.22 2 3 1 26 249.378 4 ↓

Analogs

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Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-aniline N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.85 5.03 -3.55 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.85 7 -39.43 2 3 1 26 249.378 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-aniline N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.85 5.03 -3.5 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.85 6.99 -39.49 2 3 1 26 249.378 4 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 4-chloro-N-[2-[(2S,6R)-2,6-dimet…

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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) 3.08 4.59 -3.95 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.08 6.87 -43.21 2 3 1 26 269.796 4 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 4-chloro-N-[2-[(2S,6S)-2,6-dimet…

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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) 3.08 4.87 -3.73 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.08 6.85 -42.54 2 3 1 26 269.796 4 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 4-chloro-N-[2-[(2R,6R)-2,6-dimet…

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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) 3.08 4.87 -3.73 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.08 6.84 -42.52 2 3 1 26 269.796 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-fluoro-aniline N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.51 4.16 -4.46 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.51 6.44 -41.38 2 3 1 26 253.341 4 ↓

Analogs

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Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-fluoro-aniline N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.51 4.45 -4.25 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.51 6.39 -40.58 2 3 1 26 253.341 4 ↓

Analogs

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Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-fluoro-aniline N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.51 4.44 -4.2 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.51 6.41 -40.65 2 3 1 26 253.341 4 ↓

Analogs

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Popular Name: 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 3-chloro-N-[2-[(2S,6R)-2,6-dimet…

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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) 3.05 4.59 -3.86 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.05 6.87 -42.9 2 3 1 26 269.796 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 3-chloro-N-[2-[(2S,6S)-2,6-dimet…

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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) 3.05 4.88 -3.61 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.05 6.81 -42.26 2 3 1 26 269.796 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 3-chloro-N-[2-[(2R,6R)-2,6-dimet…

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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) 3.05 4.87 -3.71 1 3 0 24 268.788 4 ↓
Mid Mid (pH 6-8) 3.05 6.83 -42.25 2 3 1 26 269.796 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-fluoro-aniline N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.54 4.13 -4.54 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.54 6.41 -44.08 2 3 1 26 253.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-fluoro-aniline N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.54 4.43 -4.32 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.54 6.36 -43.45 2 3 1 26 253.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-fluoro-aniline N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.54 4.42 -4.34 1 3 0 24 252.333 4 ↓
Mid Mid (pH 6-8) 2.54 6.38 -43.43 2 3 1 26 253.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 3-bromo-N-[2-[(2S,6R)-2,6-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) 3.18 4.69 -3.81 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.18 6.97 -42.9 2 3 1 26 314.247 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 3-bromo-N-[2-[(2S,6S)-2,6-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) 3.18 4.98 -3.56 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.18 6.92 -42.22 2 3 1 26 314.247 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 3-bromo-N-[2-[(2R,6R)-2,6-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) 3.18 4.98 -3.63 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.18 6.94 -42.2 2 3 1 26 314.247 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methyl-aniline N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.80 4.86 -3.87 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.80 7.15 -40.63 2 3 1 26 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methyl-aniline N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.80 5.15 -3.64 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.80 7.12 -39.95 2 3 1 26 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methyl-aniline N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.80 5.15 -3.61 1 3 0 24 248.37 4 ↓
Mid Mid (pH 6-8) 2.80 7.11 -40.02 2 3 1 26 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 4-bromo-N-[2-[(2S,6R)-2,6-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) 3.21 4.69 -3.89 1 3 0 24 313.239 4 ↓
Mid Mid (pH 6-8) 3.21 6.97 -43.31 2 3 1 26 314.247 4 ↓

Parameters Provided:

ring.id = 5385
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 = 5385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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