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Analogs

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Popular Name: N-methyl-1-[2-(thiomorpholinomethyl)-3-furyl]methanamine N-methyl-1-[2-(thiomorpholinomet…

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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) 0.87 6.42 -111.42 3 3 2 34 228.361 4 ↓

Analogs

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Popular Name: N-[[2-(thiomorpholinomethyl)-3-furyl]methyl]ethanamine N-[[2-(thiomorpholinomethyl)-3-f…

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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) 1.25 7.27 -111.06 3 3 2 34 242.388 5 ↓

Analogs

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Popular Name: N-[[2-(thiomorpholinomethyl)-3-furyl]methyl]propan-1-amine N-[[2-(thiomorpholinomethyl)-3-f…

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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) 1.75 8.02 -113.23 3 3 2 34 256.415 6 ↓

Analogs

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Popular Name: N-[[2-(thiomorpholinomethyl)-3-furyl]methyl]propan-2-amine N-[[2-(thiomorpholinomethyl)-3-f…

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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) 1.54 7.81 -109.06 3 3 2 34 256.415 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(thiomorpholinomethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-(thiomorpholinome…

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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) 2.06 8.23 -108.61 3 3 2 34 270.442 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(thiomorpholinomethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-(thiomorpholinome…

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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) 1.99 8.67 -112.8 3 3 2 34 270.442 6 ↓

Analogs

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Popular Name: N-methyl-1-[2-methyl-5-(thiomorpholinomethyl)-3-furyl]methanamine N-methyl-1-[2-methyl-5-(thiomorp…

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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) 1.09 6.93 -94.97 3 3 2 34 242.388 4 ↓

Analogs

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Popular Name: N-[[2-methyl-5-(thiomorpholinomethyl)-3-furyl]methyl]ethanamine N-[[2-methyl-5-(thiomorpholinome…

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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) 1.47 7.78 -94.85 3 3 2 34 256.415 5 ↓

Analogs

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Popular Name: N-[[2-methyl-5-(thiomorpholinomethyl)-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-(thiomorpholinome…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 8.53 -96.39 3 3 2 34 270.442 6 ↓

Analogs

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Popular Name: N-[[2-methyl-5-(thiomorpholinomethyl)-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-(thiomorpholinome…

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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) 1.77 8.31 -93.71 3 3 2 34 270.442 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-methyl-5-(thiomorpholinomethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-methyl-5-(thiomor…

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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) 2.28 8.72 -92.97 3 3 2 34 284.469 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-methyl-5-(thiomorpholinomethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-methyl-5-(thiomor…

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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 9.23 -96.92 3 3 2 34 284.469 6 ↓

Analogs

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Popular Name: N-methyl-1-[5-(thiomorpholinomethyl)-2-furyl]methanamine N-methyl-1-[5-(thiomorpholinomet…

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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) 1.18 6.27 -93.23 3 3 2 34 228.361 4 ↓

Analogs

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Popular Name: N-[[5-(thiomorpholinomethyl)-2-furyl]methyl]ethanamine N-[[5-(thiomorpholinomethyl)-2-f…

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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) 1.56 7.13 -93.22 3 3 2 34 242.388 5 ↓

Analogs

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Popular Name: N-[[5-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[5-(thiomorpholinomethyl)-2-f…

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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) 2.06 7.88 -94.64 3 3 2 34 256.415 6 ↓

Analogs

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Popular Name: N-[[5-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine N-[[5-(thiomorpholinomethyl)-2-f…

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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 7.65 -92.27 3 3 2 34 256.415 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-(thiomorpholinome…

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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) 2.37 8.08 -91.06 3 3 2 34 270.442 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-(thiomorpholinome…

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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 8.57 -95.28 3 3 2 34 270.442 6 ↓

Analogs

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Popular Name: [5-(thiomorpholinomethyl)-2-furyl]methanamine [5-(thiomorpholinomethyl)-2-fury…

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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 4.39 -98.2 4 3 2 45 214.334 3 ↓

Analogs

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Popular Name: [2-methyl-5-(thiomorpholinomethyl)-3-furyl]methanamine [2-methyl-5-(thiomorpholinomethy…

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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) 0.72 5.05 -99.83 4 3 2 45 228.361 3 ↓
Hi High (pH 8-9.5) 0.72 4.66 -36.8 3 3 1 44 227.353 3 ↓

Analogs

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Popular Name: [2-(thiomorpholinomethyl)-3-furyl]methanamine [2-(thiomorpholinomethyl)-3-fury…

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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) 0.50 4.53 -117.85 4 3 2 45 214.334 3 ↓
Hi High (pH 8-9.5) 0.50 4.15 -37.43 3 3 1 44 213.326 3 ↓

Analogs

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Popular Name: [3-methyl-5-(thiomorpholinomethyl)-2-furyl]methanamine [3-methyl-5-(thiomorpholinomethy…

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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 5.02 -98.34 4 3 2 45 228.361 3 ↓

Analogs

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Popular Name: [5-(thiomorpholinomethyl)-3-furyl]methanamine [5-(thiomorpholinomethyl)-3-fury…

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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) 0.50 4.24 -98.13 4 3 2 45 214.334 3 ↓
Hi High (pH 8-9.5) 0.50 3.84 -37.98 3 3 1 44 213.326 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-(thiomorpholinomethyl)-3-furyl]methanamine N-methyl-1-[5-(thiomorpholinomet…

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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) 0.87 6.1 -95.56 3 3 2 34 228.361 4 ↓

Analogs

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Popular Name: N-[[5-(thiomorpholinomethyl)-3-furyl]methyl]ethanamine N-[[5-(thiomorpholinomethyl)-3-f…

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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) 1.25 6.96 -95.41 3 3 2 34 242.388 5 ↓

Analogs

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Popular Name: N-[[5-(thiomorpholinomethyl)-3-furyl]methyl]propan-1-amine N-[[5-(thiomorpholinomethyl)-3-f…

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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) 1.75 7.71 -97.01 3 3 2 34 256.415 6 ↓

Analogs

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Popular Name: N-[[5-(thiomorpholinomethyl)-3-furyl]methyl]propan-2-amine N-[[5-(thiomorpholinomethyl)-3-f…

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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) 1.54 7.49 -94.87 3 3 2 34 256.415 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-(thiomorpholinomethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[5-(thiomorpholinome…

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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) 2.06 7.93 -93.95 3 3 2 34 270.442 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-(thiomorpholinomethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[5-(thiomorpholinome…

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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) 1.99 8.42 -97.69 3 3 2 34 270.442 6 ↓

Analogs

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Popular Name: N-methyl-1-[3-methyl-5-(thiomorpholinomethyl)-2-furyl]methanamine N-methyl-1-[3-methyl-5-(thiomorp…

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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) 1.56 6.9 -93.23 3 3 2 34 242.388 4 ↓

Analogs

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Popular Name: N-[[3-methyl-5-(thiomorpholinomethyl)-2-furyl]methyl]ethanamine N-[[3-methyl-5-(thiomorpholinome…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 7.75 -93.01 3 3 2 34 256.415 5 ↓

Analogs

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Popular Name: N-[[3-methyl-5-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[3-methyl-5-(thiomorpholinome…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.5 -94.41 3 3 2 34 270.442 6 ↓

Analogs

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Popular Name: N-[[3-methyl-5-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine N-[[3-methyl-5-(thiomorpholinome…

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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 8.28 -91.86 3 3 2 34 270.442 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-methyl-5-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-methyl-5-(thiomor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 8.72 -90.63 3 3 2 34 284.469 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-methyl-5-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-methyl-5-(thiomor…

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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) 2.68 9.2 -94.91 3 3 2 34 284.469 6 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-2-furyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2R)-2-(5-methyl-2-furyl)-2-[(3S…

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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 4.99 -29.09 3 3 1 44 241.38 3 ↓
Mid Mid (pH 6-8) 0.92 3.76 -49.34 3 3 1 44 241.38 3 ↓
Lo Low (pH 4.5-6) 0.92 5.42 -126.25 4 3 2 45 242.388 3 ↓

Analogs

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Popular Name: (2S)-2-(5-methyl-2-furyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-methyl-2-furyl)-2-[(3S…

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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 5.53 -28.46 3 3 1 44 241.38 3 ↓
Mid Mid (pH 6-8) 0.92 3.72 -47.5 3 3 1 44 241.38 3 ↓
Lo Low (pH 4.5-6) 0.92 5.6 -117.81 4 3 2 45 242.388 3 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(2-furyl)-2-[(3R)-3-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) 0.70 4.17 -29.35 3 3 1 44 227.353 3 ↓
Mid Mid (pH 6-8) 0.70 2.93 -49.12 3 3 1 44 227.353 3 ↓
Lo Low (pH 4.5-6) 0.70 4.61 -126.16 4 3 2 45 228.361 3 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(2-furyl)-2-[(3S)-3-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) 0.70 4.76 -29.21 3 3 1 44 227.353 3 ↓
Mid Mid (pH 6-8) 0.70 2.88 -47.42 3 3 1 44 227.353 3 ↓
Lo Low (pH 4.5-6) 0.70 4.83 -117.33 4 3 2 45 228.361 3 ↓

Analogs

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Popular Name: (1R,2R)-1-(2-furyl)-1-[(3R)-3-methylthiomorpholin-4-yl]propan-2-amine (1R,2R)-1-(2-furyl)-1-[(3R)-3-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) 1.10 4.43 -29.68 3 3 1 44 241.38 3 ↓
Mid Mid (pH 6-8) 1.10 2.74 -43.88 3 3 1 44 241.38 3 ↓
Lo Low (pH 4.5-6) 1.10 4.72 -106.73 4 3 2 45 242.388 3 ↓

Analogs

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Popular Name: (1R,2R)-1-(2-furyl)-1-[(3S)-3-methylthiomorpholin-4-yl]propan-2-amine (1R,2R)-1-(2-furyl)-1-[(3S)-3-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) 1.10 4.76 -30.21 3 3 1 44 241.38 3 ↓
Mid Mid (pH 6-8) 1.10 3.47 -44.44 3 3 1 44 241.38 3 ↓
Lo Low (pH 4.5-6) 1.10 5.07 -111.69 4 3 2 45 242.388 3 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-furyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-furyl)-2-[(3R)…

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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 4.93 -32.32 3 3 1 44 306.249 3 ↓
Mid Mid (pH 6-8) 1.64 3.66 -52.05 3 3 1 44 306.249 3 ↓
Lo Low (pH 4.5-6) 1.64 5.33 -131.65 4 3 2 45 307.257 3 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-furyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-furyl)-2-[(3S)…

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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 5.4 -30.29 3 3 1 44 306.249 3 ↓
Mid Mid (pH 6-8) 1.64 3.61 -50.03 3 3 1 44 306.249 3 ↓
Lo Low (pH 4.5-6) 1.64 5.56 -122.12 4 3 2 45 307.257 3 ↓

Analogs

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Popular Name: 5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]furan-3-carboxylic 5-[[(3R)-3-methylthiomorpholin-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) 1.22 7.29 -61.11 1 4 0 58 241.312 3 ↓

Analogs

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Popular Name: 5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]furan-3-carboxylic 5-[[(3S)-3-methylthiomorpholin-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) 1.22 7.41 -61.59 1 4 0 58 241.312 3 ↓

Analogs

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Popular Name: 5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]furan-2-carboxylic 5-[[(3R)-3-methylthiomorpholin-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) 1.53 7.55 -62.49 1 4 0 58 241.312 3 ↓

Analogs

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Popular Name: 5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]furan-2-carboxylic 5-[[(3S)-3-methylthiomorpholin-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) 1.53 7.66 -61.93 1 4 0 58 241.312 3 ↓

Analogs

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Popular Name: [3-methyl-5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-methyl-5-[[(3S)-3-methylthiom…

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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 5.59 -95.9 4 3 2 45 242.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-methyl-5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-methyl-5-[[(3R)-3-methylthiom…

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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 5.47 -95.64 4 3 2 45 242.388 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-3-furyl]methanamine N-methyl-1-[5-[[(3R)-3-methylthi…

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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) 1.20 6.56 -91.55 3 3 2 34 242.388 4 ↓

Parameters Provided:

ring.id = 230990
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 = 230990 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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