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Popular Name: (3S)-3-(ethylamino)-1-[(4-ethylcyclohexyl)methyl]pyrrolidin-2-one (3S)-3-(ethylamino)-1-[(4-ethylc…

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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) 2.69 7.28 -41.75 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3R)-3-(ethylamino)-1-[(4-ethylcyclohexyl)methyl]pyrrolidin-2-one (3R)-3-(ethylamino)-1-[(4-ethylc…

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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) 2.69 7.34 -39.64 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3R)-1-[(4-ethylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(4-ethylcyclohexyl)methy…

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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) 3.19 8.31 -42.42 2 3 1 37 267.437 6 ↓

Analogs

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Popular Name: (3S)-1-[(4-ethylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one (3S)-1-[(4-ethylcyclohexyl)methy…

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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) 3.19 8.09 -40.55 2 3 1 37 267.437 6 ↓

Analogs

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Popular Name: (3S)-1-[(4-ethylcyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one (3S)-1-[(4-ethylcyclohexyl)methy…

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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) 2.31 6.44 -43.32 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.31 5.15 -6.82 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (3R)-1-[(4-ethylcyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one (3R)-1-[(4-ethylcyclohexyl)methy…

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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) 2.31 6.77 -40.19 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.31 5.42 -8.91 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(4-ethylcyclohexyl)methyl]pyrrolidin-2-one (3S)-3-amino-1-[(4-ethylcyclohex…

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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 4.66 -46.64 3 3 1 48 225.356 3 ↓
Hi High (pH 8-9.5) 1.40 4.36 -6.63 2 3 0 46 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-1-[(4-ethylcyclohexyl)methyl]pyrrolidin-2-one (3R)-3-amino-1-[(4-ethylcyclohex…

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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 4.67 -44.74 3 3 1 48 225.356 3 ↓
Hi High (pH 8-9.5) 1.40 4.37 -7.81 2 3 0 46 224.348 3 ↓

Analogs

11816974
11816974

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Popular Name: (4S)-1-(cyclohexylmethyl)-4-(dimethylsulfamoylamino)-2-oxo-pyrrolidine (4S)-1-(cyclohexylmethyl)-4-(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) 1.24 -5.75 -15.24 1 6 0 70 303.428 5 ↓

Analogs

11816973
11816973

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Popular Name: (4R)-1-(cyclohexylmethyl)-4-(dimethylsulfamoylamino)-2-oxo-pyrrolidine (4R)-1-(cyclohexylmethyl)-4-(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) 1.24 -5.81 -13.2 1 6 0 70 303.428 5 ↓

Analogs

11841506
11841506

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Popular Name: N-[(3S)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]ethanesulfonamide N-[(3S)-1-(cyclohexylmethyl)-5-o…

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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) 1.61 -5.21 -17.65 1 5 0 66 288.413 5 ↓

Analogs

11841505
11841505

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Popular Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]ethanesulfonamide N-[(3R)-1-(cyclohexylmethyl)-5-o…

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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) 1.61 -5.15 -14.86 1 5 0 66 288.413 5 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexylmethyl)-5-oxo-pyrrolidine-2-carboxylic (2S)-1-(cyclohexylmethyl)-5-oxo-…

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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) 0.13 7.47 -44.35 0 4 -1 60 224.28 3 ↓

Analogs

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Popular Name: (2R)-1-(cyclohexylmethyl)-5-oxo-pyrrolidine-2-carboxylic (2R)-1-(cyclohexylmethyl)-5-oxo-…

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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) 0.13 7.12 -44.42 0 4 -1 60 224.28 3 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-1-cyclohexylethyl]-3-(ethylamino)pyrrolidin-2-one (3R)-1-[(1S)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.3 -38.88 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.56 6.03 -6.54 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-cyclohexylethyl]-3-(ethylamino)pyrrolidin-2-one (3S)-1-[(1S)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 6.92 -39.38 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.56 5.66 -9.88 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-1-cyclohexylethyl]-3-(ethylamino)pyrrolidin-2-one (3R)-1-[(1R)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.3 -38.41 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.56 6.03 -6.58 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-cyclohexylethyl]-3-(ethylamino)pyrrolidin-2-one (3S)-1-[(1R)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.3 -38.85 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.56 6.05 -8.91 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-1-cyclohexylethyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(1S)-1-cyclohexylethyl]-…

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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) 3.06 7.66 -39.84 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-cyclohexylethyl]-3-(propylamino)pyrrolidin-2-one (3S)-1-[(1S)-1-cyclohexylethyl]-…

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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) 3.06 7.68 -40.29 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-1-cyclohexylethyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(1R)-1-cyclohexylethyl]-…

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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) 3.06 8.06 -39.29 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-cyclohexylethyl]-3-(propylamino)pyrrolidin-2-one (3S)-1-[(1R)-1-cyclohexylethyl]-…

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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) 3.06 7.2 -40.6 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-cyclohexylethyl]-3-(methylamino)pyrrolidin-2-one (3S)-1-[(1S)-1-cyclohexylethyl]-…

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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) 2.19 6.56 -40.84 2 3 1 37 225.356 3 ↓
Hi High (pH 8-9.5) 2.19 5.21 -6.98 1 3 0 32 224.348 3 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-cyclohexylethyl]-3-(methylamino)pyrrolidin-2-one (3S)-1-[(1R)-1-cyclohexylethyl]-…

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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) 2.19 5.6 -41.13 2 3 1 37 225.356 3 ↓
Hi High (pH 8-9.5) 2.19 4.25 -7.13 1 3 0 32 224.348 3 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-1-cyclohexylethyl]-3-(methylamino)pyrrolidin-2-one (3R)-1-[(1S)-1-cyclohexylethyl]-…

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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) 2.19 6.47 -40.19 2 3 1 37 225.356 3 ↓
Hi High (pH 8-9.5) 2.19 5.12 -9.12 1 3 0 32 224.348 3 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-1-cyclohexylethyl]-3-(methylamino)pyrrolidin-2-one (3R)-1-[(1R)-1-cyclohexylethyl]-…

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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) 2.19 5.69 -40.92 2 3 1 37 225.356 3 ↓
Hi High (pH 8-9.5) 2.19 4.34 -9.88 1 3 0 32 224.348 3 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(1S)-1-cyclohexylethyl]pyrrolidin-2-one (3S)-3-amino-1-[(1S)-1-cyclohexy…

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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) 1.28 4.61 -46.75 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.31 -6.88 2 3 0 46 210.321 2 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(1R)-1-cyclohexylethyl]pyrrolidin-2-one (3S)-3-amino-1-[(1R)-1-cyclohexy…

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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) 1.28 4.61 -47.58 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.31 -6.78 2 3 0 46 210.321 2 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(1S)-1-cyclohexylethyl]pyrrolidin-2-one (3R)-3-amino-1-[(1S)-1-cyclohexy…

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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) 1.28 4.73 -45.25 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.44 -8.29 2 3 0 46 210.321 2 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(1R)-1-cyclohexylethyl]pyrrolidin-2-one (3R)-3-amino-1-[(1R)-1-cyclohexy…

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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) 1.28 4.61 -44.47 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.32 -8.09 2 3 0 46 210.321 2 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-cyclohexylpropyl]-3-(ethylamino)pyrrolidin-2-one (3S)-1-[(1S)-1-cyclohexylpropyl]…

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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) 3.10 8.46 -39.61 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-cyclohexylpropyl]-3-(ethylamino)pyrrolidin-2-one (3S)-1-[(1R)-1-cyclohexylpropyl]…

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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) 3.10 8.36 -38.92 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-1-cyclohexylpropyl]-3-(ethylamino)pyrrolidin-2-one (3R)-1-[(1S)-1-cyclohexylpropyl]…

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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) 3.10 8.47 -39.31 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-1-cyclohexylpropyl]-3-(ethylamino)pyrrolidin-2-one (3R)-1-[(1R)-1-cyclohexylpropyl]…

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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) 3.10 8.37 -38.62 2 3 1 37 253.41 5 ↓

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Popular Name: (3R)-1-[(1S)-1-cyclohexylpropyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(1S)-1-cyclohexylpropyl]…

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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) 3.60 8.27 -40.79 2 3 1 37 267.437 6 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-cyclohexylpropyl]-3-(propylamino)pyrrolidin-2-one (3S)-1-[(1S)-1-cyclohexylpropyl]…

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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) 3.60 8.23 -40.64 2 3 1 37 267.437 6 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-1-cyclohexylpropyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(1R)-1-cyclohexylpropyl]…

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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) 3.60 9.12 -39.47 2 3 1 37 267.437 6 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-cyclohexylpropyl]-3-(propylamino)pyrrolidin-2-one (3S)-1-[(1R)-1-cyclohexylpropyl]…

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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) 3.60 9.12 -39.8 2 3 1 37 267.437 6 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-cyclohexylpropyl]-3-(methylamino)pyrrolidin-2-one (3S)-1-[(1S)-1-cyclohexylpropyl]…

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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 7.62 -40.95 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.72 6.26 -6.95 1 3 0 32 238.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-1-cyclohexylpropyl]-3-(methylamino)pyrrolidin-2-one (3S)-1-[(1R)-1-cyclohexylpropyl]…

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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 7.52 -40.24 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.72 6.17 -6.51 1 3 0 32 238.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S)-1-cyclohexylpropyl]-3-(methylamino)pyrrolidin-2-one (3R)-1-[(1S)-1-cyclohexylpropyl]…

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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 7.54 -40.11 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.72 6.2 -8.95 1 3 0 32 238.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-1-cyclohexylpropyl]-3-(methylamino)pyrrolidin-2-one (3R)-1-[(1R)-1-cyclohexylpropyl]…

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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 6.58 -41.05 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.72 5.23 -9.81 1 3 0 32 238.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(1S)-1-cyclohexylpropyl]pyrrolidin-2-one (3S)-3-amino-1-[(1S)-1-cyclohexy…

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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 5.8 -48.44 3 3 1 48 225.356 3 ↓
Hi High (pH 8-9.5) 1.81 5.49 -7.04 2 3 0 46 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(1R)-1-cyclohexylpropyl]pyrrolidin-2-one (3S)-3-amino-1-[(1R)-1-cyclohexy…

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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 5.68 -47.65 3 3 1 48 225.356 3 ↓
Hi High (pH 8-9.5) 1.81 5.38 -6.7 2 3 0 46 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-1-[(1S)-1-cyclohexylpropyl]pyrrolidin-2-one (3R)-3-amino-1-[(1S)-1-cyclohexy…

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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 5.69 -44.98 3 3 1 48 225.356 3 ↓
Hi High (pH 8-9.5) 1.81 5.39 -7.96 2 3 0 46 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-1-[(1R)-1-cyclohexylpropyl]pyrrolidin-2-one (3R)-3-amino-1-[(1R)-1-cyclohexy…

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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 5.69 -44.72 3 3 1 48 225.356 3 ↓
Hi High (pH 8-9.5) 1.81 5.39 -7.91 2 3 0 46 224.348 3 ↓

Analogs

42582130
42582130
42582133
42582133
42582135
42582135
42582138
42582138

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1S)-1-cyclohexylethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1S)-1-cyclohexy…

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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) 1.28 4.75 -58.87 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.46 -7.07 2 3 0 46 210.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1R)-1-cyclohexylethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1R)-1-cyclohexy…

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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) 1.28 4.65 -57.84 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.36 -6.93 2 3 0 46 210.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1S)-1-cyclohexylethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1S)-1-cyclohexy…

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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) 1.28 4.69 -55.96 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 4.36 -8.54 2 3 0 46 210.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1R)-1-cyclohexylethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1R)-1-cyclohexy…

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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) 1.28 3.89 -56.52 3 3 1 48 211.329 2 ↓
Hi High (pH 8-9.5) 1.28 3.59 -9.48 2 3 0 46 210.321 2 ↓

Parameters Provided:

ring.id = 14205
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 = 14205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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