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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(4-propylphenoxy)indan-1-amine (1S,2R)-N-methyl-2-(4-propylphen…

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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) 4.65 10.31 -34.84 2 2 1 26 282.407 5 ↓
Mid Mid (pH 6-8) 4.65 9.09 -3.62 1 2 0 21 281.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(4-propylphenoxy)indan-1-amine (1S,2S)-N-methyl-2-(4-propylphen…

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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) 4.65 10.01 -42.12 2 2 1 26 282.407 5 ↓
Mid Mid (pH 6-8) 4.65 8.8 -4.85 1 2 0 21 281.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(4-propylphenoxy)indan-1-amine (1R,2R)-N-methyl-2-(4-propylphen…

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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) 4.65 10.2 -38.34 2 2 1 26 282.407 5 ↓
Mid Mid (pH 6-8) 4.65 8.67 -3.81 1 2 0 21 281.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(4-propylphenoxy)indan-1-amine (1R,2S)-N-methyl-2-(4-propylphen…

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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) 4.65 10.31 -34.8 2 2 1 26 282.407 5 ↓
Mid Mid (pH 6-8) 4.65 9.15 -3.47 1 2 0 21 281.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-propylphenoxy)indan-1-amine (1S,2R)-2-(4-propylphenoxy)indan…

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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) 2.39 8.59 -40.09 3 2 1 37 268.38 4 ↓
Mid Mid (pH 6-8) 2.39 8.29 -3.95 2 2 0 35 267.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-propylphenoxy)indan-1-amine (1S,2S)-2-(4-propylphenoxy)indan…

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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) 2.39 8.35 -47.94 3 2 1 37 268.38 4 ↓
Mid Mid (pH 6-8) 2.39 8.05 -4.79 2 2 0 35 267.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-propylphenoxy)indan-1-amine (1R,2R)-2-(4-propylphenoxy)indan…

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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) 2.39 8.34 -44.07 3 2 1 37 268.38 4 ↓
Mid Mid (pH 6-8) 2.39 8.02 -4.05 2 2 0 35 267.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-propylphenoxy)indan-1-amine (1R,2S)-2-(4-propylphenoxy)indan…

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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) 2.39 8.61 -44.11 3 2 1 37 268.38 4 ↓
Mid Mid (pH 6-8) 2.39 8.3 -4.14 2 2 0 35 267.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-propylphenoxy)indan-1-ol (1S,2R)-2-(4-propylphenoxy)indan…

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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) 4.09 8.73 -6.31 1 2 0 29 268.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-propylphenoxy)indan-1-ol (1S,2S)-2-(4-propylphenoxy)indan…

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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) 4.09 7.74 -5.4 1 2 0 29 268.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-propylphenoxy)indan-1-ol (1R,2R)-2-(4-propylphenoxy)indan…

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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) 4.09 7.72 -5.52 1 2 0 29 268.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-propylphenoxy)indan-1-ol (1R,2S)-2-(4-propylphenoxy)indan…

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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) 4.09 8.74 -7.39 1 2 0 29 268.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2,3-difluorophenoxy)-N-ethyl-indan-1-amine (1R,2S)-2-(2,3-difluorophenoxy)-…

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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) 3.95 9.04 -36.72 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.95 7.92 -7.63 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2,3-difluorophenoxy)-N-ethyl-indan-1-amine (1S,2S)-2-(2,3-difluorophenoxy)-…

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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) 3.95 8.92 -42.14 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.95 7.49 -8.02 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2,3-difluorophenoxy)-N-ethyl-indan-1-amine (1R,2R)-2-(2,3-difluorophenoxy)-…

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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) 3.95 8.75 -48.57 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.95 7.62 -9.91 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2,3-difluorophenoxy)-N-ethyl-indan-1-amine (1S,2R)-2-(2,3-difluorophenoxy)-…

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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) 3.95 9.04 -36.73 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.95 7.97 -7.89 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2,3-difluorophenoxy)-N-methyl-indan-1-amine (1R,2S)-2-(2,3-difluorophenoxy)-…

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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) 3.57 8.2 -37.9 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.57 6.98 -7.8 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2,3-difluorophenoxy)-N-methyl-indan-1-amine (1S,2S)-2-(2,3-difluorophenoxy)-…

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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) 3.57 8.09 -44.18 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.57 6.57 -8.19 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2,3-difluorophenoxy)-N-methyl-indan-1-amine (1R,2R)-2-(2,3-difluorophenoxy)-…

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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) 3.57 7.91 -50.71 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.57 6.68 -10.15 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2,3-difluorophenoxy)-N-methyl-indan-1-amine (1S,2R)-2-(2,3-difluorophenoxy)-…

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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) 3.57 8.2 -37.94 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.57 7.05 -8.12 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2,3-difluorophenoxy)indan-1-amine (1R,2S)-2-(2,3-difluorophenoxy)i…

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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) 1.32 6.45 -43.06 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.32 6.11 -8.13 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2,3-difluorophenoxy)indan-1-amine (1R,2R)-2-(2,3-difluorophenoxy)i…

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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) 1.32 6.2 -56.36 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.32 5.91 -9.33 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2,3-difluorophenoxy)indan-1-amine (1S,2S)-2-(2,3-difluorophenoxy)i…

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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) 1.32 6.2 -49.95 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.32 5.9 -7.63 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2,3-difluorophenoxy)indan-1-amine (1S,2R)-2-(2,3-difluorophenoxy)i…

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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) 1.32 6.47 -49.07 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.32 6.13 -10.81 2 2 0 35 261.271 2 ↓

Analogs

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Popular Name: (E)-3-(4-indan-2-yloxyphenyl)prop-2-enoic (E)-3-(4-indan-2-yloxyphenyl)pro…

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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) 3.75 10.73 -49.24 0 3 -1 49 279.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2,3-difluorophenoxy)indan-1-ol (1R,2S)-2-(2,3-difluorophenoxy)i…

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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 6.59 -11.15 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2,3-difluorophenoxy)indan-1-ol (1R,2R)-2-(2,3-difluorophenoxy)i…

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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 5.61 -9.53 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2,3-difluorophenoxy)indan-1-ol (1S,2S)-2-(2,3-difluorophenoxy)i…

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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 5.6 -9.44 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2,3-difluorophenoxy)indan-1-ol (1S,2R)-2-(2,3-difluorophenoxy)i…

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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 6.6 -12.99 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,5-difluorophenoxy)-N-ethyl-indan-1-amine (1R,2S)-2-(3,5-difluorophenoxy)-…

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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) 3.97 9.05 -37.99 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.97 7.92 -3.16 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-difluorophenoxy)-N-ethyl-indan-1-amine (1S,2S)-2-(3,5-difluorophenoxy)-…

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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) 3.97 8.92 -40.28 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.97 7.5 -2.84 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3,5-difluorophenoxy)-N-ethyl-indan-1-amine (1R,2R)-2-(3,5-difluorophenoxy)-…

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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) 3.97 8.76 -43.51 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.97 7.63 -4.06 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-difluorophenoxy)-N-ethyl-indan-1-amine (1S,2R)-2-(3,5-difluorophenoxy)-…

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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) 3.97 9.06 -38 2 2 1 26 290.333 4 ↓
Hi High (pH 8-9.5) 3.97 7.97 -2.77 1 2 0 21 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,5-difluorophenoxy)-N-methyl-indan-1-amine (1R,2S)-2-(3,5-difluorophenoxy)-…

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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 8.21 -39.44 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.60 6.99 -3.33 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-difluorophenoxy)-N-methyl-indan-1-amine (1S,2S)-2-(3,5-difluorophenoxy)-…

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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 8.09 -42.26 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.60 6.58 -2.96 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3,5-difluorophenoxy)-N-methyl-indan-1-amine (1R,2R)-2-(3,5-difluorophenoxy)-…

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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 7.92 -45.47 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.60 6.69 -4.3 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-difluorophenoxy)-N-methyl-indan-1-amine (1S,2R)-2-(3,5-difluorophenoxy)-…

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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 8.21 -39.42 2 2 1 26 276.306 3 ↓
Mid Mid (pH 6-8) 3.60 7.04 -2.96 1 2 0 21 275.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,5-difluorophenoxy)indan-1-amine (1R,2S)-2-(3,5-difluorophenoxy)i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 6.45 -45.12 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.34 6.11 -3.11 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3,5-difluorophenoxy)indan-1-amine (1R,2R)-2-(3,5-difluorophenoxy)i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 6.2 -51.53 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.34 5.89 -3.69 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-difluorophenoxy)indan-1-amine (1S,2S)-2-(3,5-difluorophenoxy)i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 6.2 -48.34 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.34 5.91 -3.28 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-difluorophenoxy)indan-1-amine (1S,2R)-2-(3,5-difluorophenoxy)i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 6.47 -49.04 3 2 1 37 262.279 2 ↓
Mid Mid (pH 6-8) 1.34 6.12 -4.89 2 2 0 35 261.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,5-difluorophenoxy)indan-1-ol (1R,2S)-2-(3,5-difluorophenoxy)i…

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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) 3.04 6.6 -5.37 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3,5-difluorophenoxy)indan-1-ol (1R,2R)-2-(3,5-difluorophenoxy)i…

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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) 3.04 5.59 -4.61 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-difluorophenoxy)indan-1-ol (1S,2S)-2-(3,5-difluorophenoxy)i…

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Activity (Go SEA)

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) 3.04 5.6 -4.7 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-difluorophenoxy)indan-1-ol (1S,2R)-2-(3,5-difluorophenoxy)i…

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Activity (Go SEA)

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) 3.04 6.6 -6.46 1 2 0 29 262.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[3-(methoxymethyl)phenoxy]-N-methyl-indan-1-amine (1R,2S)-2-[3-(methoxymethyl)phen…

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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) 3.27 7.81 -36.23 2 3 1 35 284.379 5 ↓
Mid Mid (pH 6-8) 3.27 6.58 -5.23 1 3 0 30 283.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[3-(methoxymethyl)phenoxy]-N-methyl-indan-1-amine (1S,2S)-2-[3-(methoxymethyl)phen…

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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) 3.27 7.69 -39.66 2 3 1 35 284.379 5 ↓
Mid Mid (pH 6-8) 3.27 6.17 -5.71 1 3 0 30 283.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[3-(methoxymethyl)phenoxy]-N-methyl-indan-1-amine (1R,2R)-2-[3-(methoxymethyl)phen…

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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) 3.27 7.51 -42.35 2 3 1 35 284.379 5 ↓
Mid Mid (pH 6-8) 3.27 6.28 -6.08 1 3 0 30 283.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(methoxymethyl)phenoxy]-N-methyl-indan-1-amine (1S,2R)-2-[3-(methoxymethyl)phen…

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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) 3.27 7.8 -36.24 2 3 1 35 284.379 5 ↓
Mid Mid (pH 6-8) 3.27 6.63 -5.04 1 3 0 30 283.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(methoxymethyl)phenoxy]indan-1-amine (1S,2R)-2-[3-(methoxymethyl)phen…

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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) 1.02 6.1 -41.45 3 3 1 46 270.352 4 ↓
Mid Mid (pH 6-8) 1.02 5.8 -5.61 2 3 0 44 269.344 4 ↓

Parameters Provided:

ring.id = 44138
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 = 44138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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