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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-ethyl-3-piperidyl]methyl]morpholine 4-[[(3S)-3-ethyl-3-piperidyl]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) 0.98 2.95 -39.2 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 0.98 4.73 -96.52 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-ethyl-3-piperidyl]methyl]morpholine 4-[[(3R)-3-ethyl-3-piperidyl]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) 0.98 2.8 -38.48 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 0.98 4.64 -108.7 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-methyl-3-piperidyl]methyl]morpholine 4-[[(3S)-3-methyl-3-piperidyl]me…

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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) 0.64 2.55 -39.18 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 0.64 4.21 -96.85 3 3 2 30 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-methyl-3-piperidyl]methyl]morpholine 4-[[(3R)-3-methyl-3-piperidyl]me…

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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) 0.64 2.39 -39.13 2 3 1 29 199.318 2 ↓
Mid Mid (pH 6-8) 0.64 4.2 -96.93 3 3 2 30 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine 4-[[(3S)-3-propyl-3-piperidyl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 3.7 -39.81 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.53 5.48 -98.67 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine 4-[[(3R)-3-propyl-3-piperidyl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 3.57 -39.06 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.53 5.41 -110.29 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-[[(3S)-3-ethyl-3-piperidyl]methyl]-2,6-dimethyl-morpholine (2S,6R)-4-[[(3S)-3-ethyl-3-piper…

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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 4.37 -39.48 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.70 6.12 -105.9 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-[[(3R)-3-ethyl-3-piperidyl]methyl]-2,6-dimethyl-morpholine (2S,6R)-4-[[(3R)-3-ethyl-3-piper…

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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 4.61 -40.29 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.70 6.14 -111.2 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-[[(3S)-3-ethyl-3-piperidyl]methyl]-2,6-dimethyl-morpholine (2R,6R)-4-[[(3S)-3-ethyl-3-piper…

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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 4.72 -39.4 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.70 6.19 -98.04 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-[[(3R)-3-ethyl-3-piperidyl]methyl]-2,6-dimethyl-morpholine (2R,6R)-4-[[(3R)-3-ethyl-3-piper…

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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 4.58 -39.43 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.70 6.1 -110 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 3.86 -39.64 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.37 5.69 -98.87 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 4.34 -39.39 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.37 5.66 -98.41 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 4.17 -39.44 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.37 5.65 -98.35 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine (2S,6R)-2,6-dimethyl-4-[[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 5.14 -39.84 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.26 6.87 -107.63 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine (2S,6R)-2,6-dimethyl-4-[[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 5.38 -40.91 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.26 6.91 -112.82 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine (2R,6R)-2,6-dimethyl-4-[[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 5.48 -40.04 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.26 6.95 -100.07 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine (2R,6R)-2,6-dimethyl-4-[[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 5.35 -40.05 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.26 6.86 -111.63 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[[(3S)-3-ethyl-3-piperidyl]methyl]-2-methyl-morpholine (2R)-4-[[(3S)-3-ethyl-3-piperidy…

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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) 1.34 3.68 -39.55 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.34 5.48 -97.6 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[[(3R)-3-ethyl-3-piperidyl]methyl]-2-methyl-morpholine (2R)-4-[[(3R)-3-ethyl-3-piperidy…

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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) 1.34 3.55 -38.67 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.34 5.4 -109.96 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.00 3.12 -39.55 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.00 4.95 -97.87 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.00 3.3 -39.49 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 1.00 4.95 -97.9 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.44 -40.07 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.90 6.24 -99.63 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine (2R)-2-methyl-4-[[(3R)-3-propyl-…

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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 4.31 -39.28 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.90 6.16 -111.56 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[[(3S)-3-ethyl-3-piperidyl]methyl]-3-methyl-morpholine (3S)-4-[[(3S)-3-ethyl-3-piperidy…

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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) 1.30 3.35 -38.75 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.30 5.06 -102.18 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[[(3R)-3-ethyl-3-piperidyl]methyl]-3-methyl-morpholine (3S)-4-[[(3R)-3-ethyl-3-piperidy…

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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) 1.30 3.46 -37.68 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.30 5.21 -103.61 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]morpholine (3R)-3-methyl-4-[[(3R)-3-methyl-…

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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) 0.97 3.15 -39.43 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 0.97 4.78 -95.27 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.97 2.98 -39.23 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 0.97 4.72 -95.32 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine (3S)-3-methyl-4-[[(3S)-3-propyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 4.12 -39.13 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.86 5.82 -103.73 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine (3S)-3-methyl-4-[[(3R)-3-propyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 4.23 -38.25 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.86 5.97 -105.2 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-4-[[(3S)-3-ethyl-3-piperidyl]methyl]-2,5-dimethyl-morpholine (2S,5S)-4-[[(3S)-3-ethyl-3-piper…

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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) 1.67 5.64 -38.32 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.67 5.83 -96.82 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-4-[[(3R)-3-ethyl-3-piperidyl]methyl]-2,5-dimethyl-morpholine (2S,5S)-4-[[(3R)-3-ethyl-3-piper…

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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) 1.67 4 -38.51 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.67 5.81 -103.81 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-2,5-dimethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]morpholine (2R,5R)-2,5-dimethyl-4-[[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 3.59 -39.15 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.33 5.31 -97.14 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 3.9 -39.65 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.33 5.53 -96.14 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine (2S,5S)-2,5-dimethyl-4-[[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.44 -38.91 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.23 6.58 -98.83 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine (2S,5S)-2,5-dimethyl-4-[[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 4.76 -39.1 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.23 6.58 -105.57 3 3 2 30 256.434 4 ↓

Analogs

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Popular Name: (2R)-2-ethyl-4-[[(3R)-3-ethyl-3-piperidyl]methyl]morpholine (2R)-2-ethyl-4-[[(3R)-3-ethyl-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) 1.84 4.52 -38.29 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.84 6.26 -111.23 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-4-[[(3R)-3-ethyl-3-piperidyl]methyl]morpholine (2S)-2-ethyl-4-[[(3R)-3-ethyl-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) 1.84 4.75 -39.15 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.84 6.26 -111.76 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]morpholine (2R)-2-ethyl-4-[[(3R)-3-methyl-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) 1.51 3.96 -39.39 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.51 5.78 -98.93 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]morpholine (2S)-2-ethyl-4-[[(3R)-3-methyl-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) 1.51 4.14 -39.38 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.51 5.78 -98.8 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine (2R)-2-ethyl-4-[[(3S)-3-propyl-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) 2.40 5.27 -39.97 2 3 1 29 255.426 5 ↓
Mid Mid (pH 6-8) 2.40 7.06 -100.54 3 3 2 30 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine (2R)-2-ethyl-4-[[(3R)-3-propyl-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) 2.40 5.15 -39.02 2 3 1 29 255.426 5 ↓
Mid Mid (pH 6-8) 2.40 6.99 -112.57 3 3 2 30 256.434 5 ↓

Analogs

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Popular Name: 4-[[(3S)-3-ethyl-3-piperidyl]methyl]-2,2-dimethyl-morpholine 4-[[(3S)-3-ethyl-3-piperidyl]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) 1.78 4.56 -39.39 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.78 5.98 -104.83 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-ethyl-3-piperidyl]methyl]-2,2-dimethyl-morpholine 4-[[(3R)-3-ethyl-3-piperidyl]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) 1.78 4.5 -39.41 2 3 1 29 241.399 3 ↓
Mid Mid (pH 6-8) 1.78 6 -109.87 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 4.24 -39.54 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.45 5.55 -98.38 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 4.24 -39.55 2 3 1 29 227.372 2 ↓
Mid Mid (pH 6-8) 1.45 5.55 -98.41 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[[(3S)-3-propyl-3-piperidyl]methyl]morpholine 2,2-dimethyl-4-[[(3S)-3-propyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 5.37 -40.24 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.34 6.84 -100.01 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[[(3R)-3-propyl-3-piperidyl]methyl]morpholine 2,2-dimethyl-4-[[(3R)-3-propyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 5.26 -40.05 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.34 6.76 -111.51 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-4-[[(3R)-3-ethyl-3-piperidyl]methyl]morpholine (3R)-3-ethyl-4-[[(3R)-3-ethyl-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) 1.84 3.84 -40.34 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.84 5.65 -101.58 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-4-[[(3R)-3-ethyl-3-piperidyl]methyl]morpholine (3S)-3-ethyl-4-[[(3R)-3-ethyl-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) 1.84 4.23 -40.19 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 1.84 5.78 -101.95 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-4-[[(3R)-3-methyl-3-piperidyl]methyl]morpholine (3R)-3-ethyl-4-[[(3R)-3-methyl-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) 1.51 3.6 -39.54 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.51 5.38 -96.62 3 3 2 30 228.38 3 ↓

Parameters Provided:

ring.id = 293408
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 = 293408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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