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Analogs

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Popular Name: 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2S,6R)-2,6-dimethylmorpholin…

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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 5.72 -7.76 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.33 7.99 -43.47 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2S,6S)-2,6-dimethylmorpholin…

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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 6.01 -7.56 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.33 7.97 -42.6 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2R,6R)-2,6-dimethylmorpholin…

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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 6.01 -7.59 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.33 7.96 -42.55 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-one 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) 1.97 4.97 -7.76 0 3 0 30 233.311 4 ↓
Mid Mid (pH 6-8) 1.97 7.24 -43.26 1 3 1 31 234.319 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-one 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) 1.97 4.97 -7.76 0 3 0 30 233.311 4 ↓
Mid Mid (pH 6-8) 1.97 7.24 -43.22 1 3 1 31 234.319 4 ↓

Analogs

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Popular Name: 3-[(3R)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-one 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) 1.94 4.83 -7.69 0 3 0 30 233.311 4 ↓
Mid Mid (pH 6-8) 1.94 7.01 -40.96 1 3 1 31 234.319 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-one 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) 1.94 4.83 -7.7 0 3 0 30 233.311 4 ↓
Mid Mid (pH 6-8) 1.94 7.01 -40.99 1 3 1 31 234.319 4 ↓

Analogs

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Popular Name: 3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2R,5R)-2,5-dimethylmorpholin…

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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) 2.30 5.41 -7.31 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.30 7.58 -42.11 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2S,5R)-2,5-dimethylmorpholin…

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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) 2.30 5.57 -7.73 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.30 7.76 -41.12 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-ethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2R)-2-ethylmorpholin-4-yl]-1…

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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) 2.47 5.81 -7.57 0 3 0 30 247.338 5 ↓
Mid Mid (pH 6-8) 2.47 8.07 -43.68 1 3 1 31 248.346 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-ethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(2S)-2-ethylmorpholin-4-yl]-1…

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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) 2.47 5.81 -7.58 0 3 0 30 247.338 5 ↓
Mid Mid (pH 6-8) 2.47 8.07 -43.63 1 3 1 31 248.346 5 ↓

Analogs

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Popular Name: 3-(2,2-dimethylmorpholin-4-yl)-1-phenyl-propan-1-one 3-(2,2-dimethylmorpholin-4-yl)-1…

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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 5.9 -7.62 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.42 7.84 -42.65 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(3R)-3-ethylmorpholin-4-yl]-1…

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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) 2.47 5.47 -7.63 0 3 0 30 247.338 5 ↓
Mid Mid (pH 6-8) 2.47 7.63 -41.51 1 3 1 31 248.346 5 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethylmorpholin-4-yl]-1-phenyl-propan-1-one 3-[(3S)-3-ethylmorpholin-4-yl]-1…

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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) 2.47 5.48 -7.63 0 3 0 30 247.338 5 ↓
Mid Mid (pH 6-8) 2.47 7.64 -41.46 1 3 1 31 248.346 5 ↓

Analogs

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Popular Name: 1-phenyl-3-[(6R)-2,2,6-trimethylmorpholin-4-yl]propan-1-one 1-phenyl-3-[(6R)-2,2,6-trimethyl…

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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) 2.78 6.62 -7.61 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.78 8.57 -42.76 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: 1-phenyl-3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one 1-phenyl-3-[(6S)-2,2,6-trimethyl…

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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) 2.78 6.62 -7.6 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.78 8.58 -42.75 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: 3-(3,3-dimethylmorpholin-4-yl)-1-phenyl-propan-1-one 3-(3,3-dimethylmorpholin-4-yl)-1…

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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 5.2 -7.22 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.42 7.31 -40.04 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1-phenyl-propan-1-one 3-[(2R,5R)-5-ethyl-2-methyl-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) 2.84 6.49 -7.45 0 3 0 30 261.365 5 ↓
Mid Mid (pH 6-8) 2.84 8.33 -40.72 1 3 1 31 262.373 5 ↓

Analogs

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Popular Name: 3-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1-phenyl-propan-1-one 3-[(2R,5S)-5-ethyl-2-methyl-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) 2.84 6.23 -7.58 0 3 0 30 261.365 5 ↓
Mid Mid (pH 6-8) 2.84 8.39 -41.56 1 3 1 31 262.373 5 ↓

Analogs

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Popular Name: 3-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1-phenyl-propan-1-one 3-[(2S,5R)-5-ethyl-2-methyl-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) 2.84 6.22 -7.58 0 3 0 30 261.365 5 ↓
Mid Mid (pH 6-8) 2.84 8.38 -41.53 1 3 1 31 262.373 5 ↓

Analogs

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Popular Name: 3-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1-phenyl-propan-1-one 3-[(2S,5S)-5-ethyl-2-methyl-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) 2.84 6.51 -7.43 0 3 0 30 261.365 5 ↓
Mid Mid (pH 6-8) 2.84 8.35 -40.73 1 3 1 31 262.373 5 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-morpholino-propan-1-one 1-(3-bromophenyl)-3-morpholino-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 4.85 -6.15 0 3 0 30 298.18 4 ↓
Mid Mid (pH 6-8) 2.39 7.11 -41.51 1 3 1 31 299.188 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(2S,6R)-2,6…

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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) 3.14 6.35 -7.12 0 3 0 30 326.234 4 ↓
Mid Mid (pH 6-8) 3.14 8.61 -45.91 1 3 1 31 327.242 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(2S,6S)-2,6…

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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) 3.14 6.63 -7.07 0 3 0 30 326.234 4 ↓
Mid Mid (pH 6-8) 3.14 8.59 -45.08 1 3 1 31 327.242 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(2R,6R)-2,6…

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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) 3.14 6.63 -7.07 0 3 0 30 326.234 4 ↓
Mid Mid (pH 6-8) 3.14 8.58 -45.06 1 3 1 31 327.242 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(2S,6R)-2,6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.34 -8.85 0 3 0 30 326.234 4 ↓
Mid Mid (pH 6-8) 3.12 8.6 -47.43 1 3 1 31 327.242 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(2S,6S)-2,6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.63 -8.79 0 3 0 30 326.234 4 ↓
Mid Mid (pH 6-8) 3.12 8.55 -46.44 1 3 1 31 327.242 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(2R,6R)-2,6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.62 -8.8 0 3 0 30 326.234 4 ↓
Mid Mid (pH 6-8) 3.12 8.57 -46.56 1 3 1 31 327.242 4 ↓

Analogs

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Popular Name: 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 3-[(2S,6R)-2,6-dimethylmorpholin…

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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) 2.78 6.4 -7.6 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.78 8.67 -43.48 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 3-[(2R,6R)-2,6-dimethylmorpholin…

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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) 2.78 6.68 -7.51 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.78 8.64 -42.51 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 3-[(2S,6S)-2,6-dimethylmorpholin…

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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) 2.78 6.68 -7.54 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.78 8.63 -42.49 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: (2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(2S,6R)-2,6-dimethylmorp…

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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) 2.81 6.63 -7.08 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.81 8.63 -36.19 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: (2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(2S,6S)-2,6-dimethylmorp…

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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) 2.81 6.92 -6.94 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.81 8.58 -35.89 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: (2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(2R,6R)-2,6-dimethylmorp…

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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) 2.81 6.89 -7.11 0 3 0 30 261.365 4 ↓
Mid Mid (pH 6-8) 2.81 8.55 -40.14 1 3 1 31 262.373 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(2R)-2-methylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(2R)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 5.6 -7.16 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.78 7.87 -45.62 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(2S)-2-methylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(2S)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 5.6 -7.15 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.78 7.87 -45.66 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(2R)-2-methylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(2R)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.59 -8.96 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.75 7.86 -47.12 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(2S)-2-methylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(2S)-2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.59 -8.98 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.75 7.86 -47.1 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-methylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 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) 2.42 5.65 -7.64 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.42 7.92 -43.17 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-methylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 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) 2.42 5.65 -7.65 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.42 7.92 -43.18 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-[(2R)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-one (2R)-2-methyl-3-[(2R)-2-methylmo…

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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 5.89 -7.14 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.44 7.89 -36.16 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-[(2S)-2-methylmorpholin-4-yl]-1-phenyl-propan-1-one (2R)-2-methyl-3-[(2S)-2-methylmo…

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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 5.86 -7.22 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.44 7.86 -40.94 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(3R)-3-methylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(3R)-3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.45 -7.08 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.75 7.64 -43.33 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(3S)-3-methylmorpholin-4-yl]propan-1-one 1-(4-bromophenyl)-3-[(3S)-3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.45 -7.08 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.75 7.64 -43.31 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(3R)-3-methylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(3R)-3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.44 -8.91 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.72 7.62 -44.87 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[(3S)-3-methylmorpholin-4-yl]propan-1-one 1-(3-bromophenyl)-3-[(3S)-3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.44 -8.92 0 3 0 30 312.207 4 ↓
Mid Mid (pH 6-8) 2.72 7.62 -44.86 1 3 1 31 313.215 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-methylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 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) 2.38 5.5 -7.6 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.38 7.69 -41.01 1 3 1 31 248.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-methylmorpholin-4-yl]-1-(p-tolyl)propan-1-one 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) 2.38 5.5 -7.6 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.38 7.69 -40.98 1 3 1 31 248.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-[(3R)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-one (2R)-2-methyl-3-[(3R)-3-methylmo…

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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) 2.41 5.58 -7.4 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.41 7.66 -34.56 1 3 1 31 248.346 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-[(3S)-3-methylmorpholin-4-yl]-1-phenyl-propan-1-one (2R)-2-methyl-3-[(3S)-3-methylmo…

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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) 2.41 5.7 -7.26 0 3 0 30 247.338 4 ↓
Mid Mid (pH 6-8) 2.41 7.62 -38.79 1 3 1 31 248.346 4 ↓

Parameters Provided:

ring.id = 6919
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 = 6919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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