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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide 1-[(5-butyl-1,2,4-oxadiazol-3-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) 0.96 2.58 -46.4 3 6 1 86 267.353 6 ↓
Hi High (pH 8-9.5) 0.96 0.35 -13.65 2 6 0 85 266.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-piperidyl]propane-1-sulfonamide N-[1-[(5-isopropyl-1,2,4-oxadiaz…

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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) 1.31 2.63 -47.81 2 7 1 90 331.462 7 ↓
Hi High (pH 8-9.5) 1.31 0.42 -13.52 1 7 0 88 330.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-pentyl-piperidine-4-carboxamide 1-[(5-isopropyl-1,2,4-oxadiazol-…

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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) 2.70 6.5 -46.36 2 6 1 72 323.461 8 ↓
Mid Mid (pH 6-8) 2.70 4.25 -13.45 1 6 0 71 322.453 8 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.89 4.78 -40.51 2 7 1 82 325.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-piperidyl]acetamide 2-[1-[(5-isopropyl-1,2,4-oxadiaz…

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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) 0.84 2.55 -37.86 3 6 1 86 267.353 5 ↓
Hi High (pH 8-9.5) 0.84 0.32 -11 2 6 0 85 266.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-piperidyl]acetamide 2-[1-[(5-butyl-1,2,4-oxadiazol-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) 1.41 3.5 -38.33 3 6 1 86 281.38 7 ↓
Hi High (pH 8-9.5) 1.41 1.26 -10.99 2 6 0 85 280.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-piperidine-4-carboxamide N-butyl-1-[(5-butyl-1,2,4-oxadia…

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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) 3.02 8.54 -47.36 1 6 1 64 337.488 9 ↓
Hi High (pH 8-9.5) 3.02 6.32 -14.12 0 6 0 62 336.48 9 ↓

Analogs

44514330
44514330
51952940
51952940

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine 1-(1,2,4-oxadiazol-3-ylmethyl)pi…

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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 -1.95 -48.13 3 5 1 70 183.235 2 ↓

Analogs

45944169
45944169
51909448
51909448
51952940
51952940

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine 1-[(5-methyl-1,2,4-oxadiazol-3-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.91 -1.38 -47.65 3 5 1 70 197.262 2 ↓

Analogs

51709169
51709169

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine 1-[(5-tert-butyl-1,2,4-oxadiazol…

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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) 0.81 0.51 -46.38 3 5 1 70 239.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine 1-[(5-isobutyl-1,2,4-oxadiazol-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) 0.41 0.86 -46.92 3 5 1 70 239.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 1.58 3.88 -42.37 3 9 1 111 396.512 9 ↓
Hi High (pH 8-9.5) 1.58 1.65 -13.54 2 9 0 110 395.504 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 1.58 3.67 -42.37 3 9 1 111 396.512 9 ↓
Hi High (pH 8-9.5) 1.58 1.47 -13.46 2 9 0 110 395.504 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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 2.52 -43.18 3 9 1 111 368.458 8 ↓
Hi High (pH 8-9.5) 0.52 0.29 -14.62 2 9 0 110 367.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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 2.31 -43.15 3 9 1 111 368.458 8 ↓
Hi High (pH 8-9.5) 0.52 0.12 -14.54 2 9 0 110 367.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-isopropyl-1,2,4-oxadiazol-…

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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) 1.14 5.97 -59.07 1 6 0 83 267.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-methyl-1-[(5-propyl-1,2,4-oxad…

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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) 1.16 6.14 -59.28 1 6 0 83 267.329 5 ↓

Analogs

42718113
42718113

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-ethyl-1,2,4-oxadiazol-3-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) 0.66 5.37 -59.53 1 6 0 83 253.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-tert-butyl-1,2,4-oxadiazol…

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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) 1.81 6.51 -59.03 1 6 0 83 281.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-isobutyl-1,2,4-oxadiazol-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) 1.40 6.48 -59.14 1 6 0 83 281.356 5 ↓

Analogs

42717119
42717119

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-methyl-1-[(5-methyl-1,2,4-oxad…

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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) 0.08 4.42 -60.12 1 6 0 83 239.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-4-carboxylic 4-methyl-1-(1,2,4-oxadiazol-3-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) -0.14 3.87 -61.54 1 6 0 83 225.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-isopropyl-1,2,4-ox…

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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) 1.48 6.46 -58.45 1 6 0 83 281.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-propyl-1,2,4-oxadi…

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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) 1.49 6.67 -60.06 1 6 0 83 281.356 6 ↓

Analogs

42718113
42718113

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-ethyl-1,2,4-oxadia…

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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) 0.99 5.74 -60.8 1 6 0 83 267.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-ethyl-piperidine-4-carboxylic 1-[(5-tert-butyl-1,2,4-oxadiazol…

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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) 2.14 6.79 -58.12 1 6 0 83 295.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-isobutyl-1,2,4-oxa…

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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) 1.74 7.18 -58.45 1 6 0 83 295.383 6 ↓

Analogs

42717119
42717119

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-methyl-1,2,4-oxadi…

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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) 0.42 4.9 -59.35 1 6 0 83 253.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-4-carboxylic 4-ethyl-1-(1,2,4-oxadiazol-3-ylm…

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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) 0.20 4.15 -60.63 1 6 0 83 239.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(5-isopropyl-1,2,4-oxadiazol-…

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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 7.21 -58.82 1 6 0 83 295.383 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylic 4-propyl-1-[(5-propyl-1,2,4-oxad…

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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 7.42 -60.61 1 6 0 83 295.383 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(5-ethyl-1,2,4-oxadiazol-3-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) 1.55 6.42 -59.1 1 6 0 83 281.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(5-methyl-1,2,4-oxadiazol-3-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 5.66 -59.64 1 6 0 83 267.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propyl-piperidine-4-carboxylic 1-(1,2,4-oxadiazol-3-ylmethyl)-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 4.91 -60.94 1 6 0 83 253.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-isopropyl-1,2,4-oxadi…

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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) 1.14 5.96 -45.1 1 6 0 83 267.329 4 ↓
Hi High (pH 8-9.5) 1.14 4.13 -46.67 0 6 -1 82 266.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-isopropyl-1,2,4-oxadi…

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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) 1.14 6.14 -45.22 1 6 0 83 267.329 4 ↓
Hi High (pH 8-9.5) 1.14 4.29 -47.34 0 6 -1 82 266.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(5-propyl-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 6.12 -45.35 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) 1.16 4.3 -46.48 0 6 -1 82 266.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(5-propyl-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 6.31 -45.62 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) 1.16 4.45 -47.24 0 6 -1 82 266.321 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-ethyl-1,2,4-oxadiazol…

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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) 0.66 5.35 -45.69 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) 0.66 3.53 -47.05 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-ethyl-1,2,4-oxadiazol…

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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) 0.66 5.54 -45.8 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) 0.66 3.68 -47.73 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.81 6.49 -44.73 1 6 0 83 281.356 4 ↓
Hi High (pH 8-9.5) 1.81 4.66 -46.78 0 6 -1 82 280.348 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.81 6.67 -44.87 1 6 0 83 281.356 4 ↓
Hi High (pH 8-9.5) 1.81 4.81 -47.34 0 6 -1 82 280.348 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-isobutyl-1,2,4-oxadia…

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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) 1.40 6.86 -45.33 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 1.40 4.83 -46.6 0 6 -1 82 280.348 5 ↓

Analogs

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Popular Name: (3S)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-isobutyl-1,2,4-oxadia…

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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) 1.40 7.05 -45.49 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 1.40 4.98 -47.38 0 6 -1 82 280.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(5-methyl-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 4.6 -46.29 1 6 0 83 239.275 3 ↓
Hi High (pH 8-9.5) 0.08 2.77 -47.7 0 6 -1 82 238.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(5-methyl-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.08 4.78 -46.4 1 6 0 83 239.275 3 ↓
Hi High (pH 8-9.5) 0.08 2.93 -48.49 0 6 -1 82 238.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxylic (3S)-3-methyl-1-(1,2,4-oxadiazol…

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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 3.86 -47.94 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -0.14 2.03 -48.56 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxylic (3R)-3-methyl-1-(1,2,4-oxadiazol…

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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 4.04 -48.07 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -0.14 2.19 -49.23 0 6 -1 82 224.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(5-isopropyl-1,2…

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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) 1.48 6.71 -40.24 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 1.48 5.14 -52.13 0 6 -1 82 280.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(5-isopropyl-1,2…

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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) 1.48 6.6 -43.91 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 1.48 4.76 -46.34 0 6 -1 82 280.348 5 ↓

Parameters Provided:

ring.id = 92501
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 = 92501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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