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Analogs

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Popular Name: 1-(2-cyclopropyl-2-oxo-ethyl)piperidine-4-carboxamide 1-(2-cyclopropyl-2-oxo-ethyl)pip…

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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) -0.11 3.7 -48.34 3 4 1 65 211.285 4 ↓
Mid Mid (pH 6-8) -0.11 1.51 -13.93 2 4 0 63 210.277 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S,5R)-3,5-dim…

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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 8.21 -35.22 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 2.01 6.03 -5.19 0 2 0 20 195.306 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S,5S)-3,5-dim…

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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 8.21 -34.79 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 2.01 6.41 -4.76 0 2 0 20 195.306 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R,5R)-3,5-dim…

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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 8.21 -34.8 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 2.01 6.41 -4.72 0 2 0 20 195.306 3 ↓

Analogs

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Popular Name: (3S)-1-(2-cyclopropyl-2-oxo-ethyl)piperidine-3-carboxamide (3S)-1-(2-cyclopropyl-2-oxo-ethy…

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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) -0.11 3.65 -38.45 3 4 1 65 211.285 4 ↓
Mid Mid (pH 6-8) -0.11 1.48 -9.43 2 4 0 63 210.277 4 ↓

Analogs

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Popular Name: (3R)-1-(2-cyclopropyl-2-oxo-ethyl)piperidine-3-carboxamide (3R)-1-(2-cyclopropyl-2-oxo-ethy…

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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) -0.11 3.65 -38.42 3 4 1 65 211.285 4 ↓
Mid Mid (pH 6-8) -0.11 1.48 -9.42 2 4 0 63 210.277 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-methyl-1-piperidyl)ethanone 1-cyclopropyl-2-(4-methyl-1-pipe…

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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 7.64 -35.65 1 2 1 22 182.287 3 ↓
Hi High (pH 8-9.5) 1.53 5.45 -5.26 0 2 0 20 181.279 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(2R)-2-methyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2R)-2-methyl-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) 1.62 7.53 -32.16 1 2 1 22 182.287 3 ↓
Hi High (pH 8-9.5) 1.62 5.48 -5.37 0 2 0 20 181.279 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(2S)-2-methyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2S)-2-methyl-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) 1.62 7.53 -32.19 1 2 1 22 182.287 3 ↓
Hi High (pH 8-9.5) 1.62 5.49 -5.37 0 2 0 20 181.279 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3-methyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R)-3-methyl-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) 1.53 7.61 -34.83 1 2 1 22 182.287 3 ↓
Hi High (pH 8-9.5) 1.53 5.44 -5.17 0 2 0 20 181.279 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-3-methyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S)-3-methyl-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) 1.53 7.61 -34.89 1 2 1 22 182.287 3 ↓
Hi High (pH 8-9.5) 1.53 5.44 -5.2 0 2 0 20 181.279 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2S,6R)-2,6-dim…

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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) 1.95 7.76 -31.58 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 1.95 5.58 -4.35 0 2 0 20 195.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2S,6S)-2,6-dim…

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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) 1.95 7.7 -30.54 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 1.95 5.81 -5.48 0 2 0 20 195.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2R,6R)-2,6-dim…

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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) 1.95 7.71 -30.54 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 1.95 5.82 -5.51 0 2 0 20 195.306 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(2R)-2-ethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2R)-2-ethyl-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) 2.16 8.11 -32.27 1 2 1 22 196.314 4 ↓
Hi High (pH 8-9.5) 2.16 6.7 -4.97 0 2 0 20 195.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2S)-2-ethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(2S)-2-ethyl-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) 2.16 8.14 -32.29 1 2 1 22 196.314 4 ↓
Hi High (pH 8-9.5) 2.16 6.08 -5.15 0 2 0 20 195.306 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-methoxy-1-piperidyl)ethanone 1-cyclopropyl-2-(4-methoxy-1-pip…

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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) 0.02 6.03 -38.91 1 3 1 31 198.286 4 ↓
Mid Mid (pH 6-8) 0.02 3.86 -7.17 0 3 0 30 197.278 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3-ethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R)-3-ethyl-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) 2.03 8.27 -35.54 1 2 1 22 196.314 4 ↓
Hi High (pH 8-9.5) 2.03 6.09 -5.14 0 2 0 20 195.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(3S)-3-ethyl-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S)-3-ethyl-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) 2.03 8.27 -35.48 1 2 1 22 196.314 4 ↓
Hi High (pH 8-9.5) 2.03 6.09 -5.16 0 2 0 20 195.306 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-(dimethylamino)-1-piperidyl]ethanone 1-cyclopropyl-2-[4-(dimethylamin…

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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) 0.80 5.85 -35.05 1 3 1 25 211.329 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-ethoxy-1-piperidyl)ethanone 1-cyclopropyl-2-(4-ethoxy-1-pipe…

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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) 0.40 7 -38.99 1 3 1 31 212.313 5 ↓
Mid Mid (pH 6-8) 0.40 4.83 -7.07 0 3 0 30 211.305 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-ethyl-1-piperidyl)ethanone 1-cyclopropyl-2-(4-ethyl-1-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) 2.22 8.3 -35.98 1 2 1 22 196.314 4 ↓
Hi High (pH 8-9.5) 2.22 6.12 -5.14 0 2 0 20 195.306 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-(dimethylaminomethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[4-(dimethylamin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 8.99 -94.81 2 3 2 26 226.364 5 ↓
Mid Mid (pH 6-8) 1.19 6.81 -37.71 1 3 1 25 225.356 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3-propoxy-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R)-3-propoxy-…

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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 7.77 -35.82 1 3 1 31 226.34 6 ↓
Mid Mid (pH 6-8) 1.64 5.6 -5.22 0 3 0 30 225.332 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-3-propoxy-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S)-3-propoxy-…

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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 7.77 -35.78 1 3 1 31 226.34 6 ↓
Mid Mid (pH 6-8) 1.64 5.6 -5.22 0 3 0 30 225.332 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3-ethoxy-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R)-3-ethoxy-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) 1.13 6.98 -35.72 1 3 1 31 212.313 5 ↓
Mid Mid (pH 6-8) 1.13 4.8 -5.4 0 3 0 30 211.305 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-3-ethoxy-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S)-3-ethoxy-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) 1.13 6.98 -35.72 1 3 1 31 212.313 5 ↓
Mid Mid (pH 6-8) 1.13 4.8 -5.38 0 3 0 30 211.305 5 ↓

Analogs

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Popular Name: (3S,6R)-1-(2-cyclopropyl-2-oxo-ethyl)-6-methyl-piperidine-3-carboxamide (3S,6R)-1-(2-cyclopropyl-2-oxo-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) 0.22 4.43 -36.52 3 4 1 65 225.312 4 ↓
Mid Mid (pH 6-8) 0.22 3.62 -12.8 2 4 0 63 224.304 4 ↓

Analogs

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Popular Name: (3S,6S)-1-(2-cyclopropyl-2-oxo-ethyl)-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(2-cyclopropyl-2-oxo-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) 0.22 4.15 -39.37 3 4 1 65 225.312 4 ↓
Mid Mid (pH 6-8) 0.22 2.11 -11.67 2 4 0 63 224.304 4 ↓

Analogs

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Popular Name: (3R,6R)-1-(2-cyclopropyl-2-oxo-ethyl)-6-methyl-piperidine-3-carboxamide (3R,6R)-1-(2-cyclopropyl-2-oxo-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) 0.22 4.15 -39.39 3 4 1 65 225.312 4 ↓
Mid Mid (pH 6-8) 0.22 2.1 -11.69 2 4 0 63 224.304 4 ↓

Analogs

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Popular Name: (3R,6S)-1-(2-cyclopropyl-2-oxo-ethyl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(2-cyclopropyl-2-oxo-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) 0.22 4.43 -36.6 3 4 1 65 225.312 4 ↓
Mid Mid (pH 6-8) 0.22 3.63 -12.76 2 4 0 63 224.304 4 ↓

Analogs

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Popular Name: 2-[1-(2-cyclopropyl-2-oxo-ethyl)-4-piperidyl]acetamide 2-[1-(2-cyclopropyl-2-oxo-ethyl)…

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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) 0.34 4.41 -38.57 3 4 1 65 225.312 5 ↓
Hi High (pH 8-9.5) 0.34 2.24 -9.92 2 4 0 63 224.304 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-(hydroxymethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[4-(hydroxymethy…

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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) 0.52 4.33 -36.96 2 3 1 42 198.286 4 ↓
Hi High (pH 8-9.5) 0.52 2.14 -6.61 1 3 0 41 197.278 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S)-3-(hydroxy…

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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) 0.52 4.3 -39.03 2 3 1 42 198.286 4 ↓
Mid Mid (pH 6-8) 0.52 2.14 -8.03 1 3 0 41 197.278 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3-(hydroxymethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R)-3-(hydroxy…

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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) 0.52 4.3 -38.99 2 3 1 42 198.286 4 ↓
Mid Mid (pH 6-8) 0.52 2.14 -8.02 1 3 0 41 197.278 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-hydroxy-1-piperidyl)ethanone 1-cyclopropyl-2-(4-hydroxy-1-pip…

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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) -0.59 3.68 -39.57 2 3 1 42 184.259 3 ↓
Mid Mid (pH 6-8) -0.59 1.51 -8.1 1 3 0 41 183.251 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[(2S)-2-(2-hydro…

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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) 0.92 4.79 -34.39 2 3 1 42 212.313 5 ↓
Mid Mid (pH 6-8) 0.92 3.21 -5.88 1 3 0 41 211.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[(2R)-2-(2-hydro…

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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) 0.92 4.78 -34.69 2 3 1 42 212.313 5 ↓
Mid Mid (pH 6-8) 0.92 2.74 -7.4 1 3 0 41 211.305 5 ↓

Analogs

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Popular Name: (2S)-1-(2-cyclopropyl-2-oxo-ethyl)piperidine-2-carboxamide (2S)-1-(2-cyclopropyl-2-oxo-ethy…

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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) 0.57 1.68 -12.71 2 4 0 63 210.277 4 ↓
Mid Mid (pH 6-8) 0.57 3.64 -36.13 3 4 1 65 211.285 4 ↓

Analogs

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Popular Name: (2R)-1-(2-cyclopropyl-2-oxo-ethyl)piperidine-2-carboxamide (2R)-1-(2-cyclopropyl-2-oxo-ethy…

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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) 0.57 1.68 -12.8 2 4 0 63 210.277 4 ↓
Mid Mid (pH 6-8) 0.57 3.64 -36.27 3 4 1 65 211.285 4 ↓

Analogs

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Popular Name: (2S)-1-(2-cyclopropyl-2-oxo-ethyl)-N-methyl-piperidine-2-carboxamide (2S)-1-(2-cyclopropyl-2-oxo-ethy…

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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) 0.38 3.11 -12.43 1 4 0 49 224.304 4 ↓
Mid Mid (pH 6-8) 0.38 5.1 -35.6 2 4 1 51 225.312 4 ↓

Analogs

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Popular Name: (2R)-1-(2-cyclopropyl-2-oxo-ethyl)-N-methyl-piperidine-2-carboxamide (2R)-1-(2-cyclopropyl-2-oxo-ethy…

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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) 0.38 3.1 -12.48 1 4 0 49 224.304 4 ↓
Mid Mid (pH 6-8) 0.38 5.1 -35.7 2 4 1 51 225.312 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-amino-1-piperidyl]-1-cyclopropyl-ethanone 2-[(3S)-3-amino-1-piperidyl]-1-c…

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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) -0.35 2.08 -47.22 3 3 1 48 183.275 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-amino-1-piperidyl]-1-cyclopropyl-ethanone 2-[(3R)-3-amino-1-piperidyl]-1-c…

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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) -0.35 2.08 -47.18 3 3 1 48 183.275 3 ↓

Analogs

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Popular Name: 1-(2-cyclopropyl-2-oxo-ethyl)-N-methyl-piperidine-4-carboxamide 1-(2-cyclopropyl-2-oxo-ethyl)-N-…

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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) 0.26 5.2 -48.71 2 4 1 51 225.312 4 ↓
Mid Mid (pH 6-8) 0.26 3.02 -14.1 1 4 0 49 224.304 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(2S)-2-(hydroxymethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[(2S)-2-(hydroxy…

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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 4.34 -33.76 2 3 1 42 198.286 4 ↓
Hi High (pH 8-9.5) 0.64 2.28 -8.53 1 3 0 41 197.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2R)-2-(hydroxymethyl)-1-piperidyl]ethanone 1-cyclopropyl-2-[(2R)-2-(hydroxy…

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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 4.34 -33.73 2 3 1 42 198.286 4 ↓
Hi High (pH 8-9.5) 0.64 2.28 -8.53 1 3 0 41 197.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(3S)-3-hydroxy-1-piperidyl]ethanone 1-cyclopropyl-2-[(3S)-3-hydroxy-…

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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) 0.14 3.66 -35.38 2 3 1 42 184.259 3 ↓
Mid Mid (pH 6-8) 0.14 1.49 -6.18 1 3 0 41 183.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(3R)-3-hydroxy-1-piperidyl]ethanone 1-cyclopropyl-2-[(3R)-3-hydroxy-…

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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) 0.14 3.66 -35.36 2 3 1 42 184.259 3 ↓
Mid Mid (pH 6-8) 0.14 1.49 -6.18 1 3 0 41 183.251 3 ↓

Analogs

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Popular Name: 2-(4-amino-1-piperidyl)-1-cyclopropyl-ethanone 2-(4-amino-1-piperidyl)-1-cyclop…

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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) -0.35 2.09 -43.76 3 3 1 48 183.275 3 ↓

Parameters Provided:

ring.id = 243679
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 = 243679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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