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Analogs

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Popular Name: N'-(2-chloro-4-methoxy-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(2-chloro-4-methoxy-phenyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.03 -8.37 2 6 0 71 389.883 9 ↓
Lo Low (pH 4.5-6) 3.15 7.46 -24.45 3 6 0 72 390.891 9 ↓

Analogs

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Popular Name: N-[4-(N-methylanilino)butyl]-N'-(4-methylsulfanylphenyl)oxamide N-[4-(N-methylanilino)butyl]-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 8.14 -8.88 2 5 0 61 371.506 9 ↓
Lo Low (pH 4.5-6) 2.92 8.56 -79.98 3 5 0 63 372.514 9 ↓

Analogs

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Popular Name: N'-(5-chloro-2-fluoro-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(5-chloro-2-fluoro-phenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 7.74 -8.17 2 5 0 61 377.847 8 ↓
Hi High (pH 8-9.5) 3.45 6.9 -45.87 1 5 -1 68 376.839 8 ↓
Lo Low (pH 4.5-6) 3.26 8.16 -78.79 3 5 0 63 378.855 8 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3-isopropylphenyl)-N'-[4-(N-m…

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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) 3.98 9.01 -8.12 2 5 0 61 367.493 9 ↓
Lo Low (pH 4.5-6) 3.98 9.43 -24.36 3 5 0 63 368.501 9 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2,4-dimethylphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 8.67 -8.52 2 5 0 61 353.466 8 ↓
Lo Low (pH 4.5-6) 3.32 9.09 -24.82 3 5 0 63 354.474 8 ↓

Analogs

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Popular Name: N'-(2,5-dichlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(2,5-dichlorophenyl)-N-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.26 -7.72 2 5 0 61 394.302 8 ↓
Hi High (pH 8-9.5) 3.96 7.47 -44.48 1 5 -1 68 393.294 8 ↓
Lo Low (pH 4.5-6) 3.77 8.68 -76.75 3 5 0 63 395.31 8 ↓

Analogs

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Popular Name: N'-(3-chloro-2-fluoro-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3-chloro-2-fluoro-phenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 7.72 -8.92 2 5 0 61 377.847 8 ↓
Hi High (pH 8-9.5) 3.42 6.88 -44.75 1 5 -1 68 376.839 8 ↓
Lo Low (pH 4.5-6) 3.24 8.15 -78.29 3 5 0 63 378.855 8 ↓

Analogs

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Popular Name: N'-[4-(N-methylanilino)butyl]-N-(2-propoxyphenyl)oxamide N'-[4-(N-methylanilino)butyl]-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 8.25 -9.28 2 6 0 71 383.492 11 ↓
Lo Low (pH 4.5-6) 3.38 8.67 -25.15 3 6 0 72 384.5 11 ↓

Analogs

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Popular Name: N'-[4-(N-methylanilino)butyl]-N-[4-(methylcarbamoyl)phenyl]oxamide N'-[4-(N-methylanilino)butyl]-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 5.4 -13.56 3 7 0 91 382.464 9 ↓
Lo Low (pH 4.5-6) 1.68 5.82 -88.52 4 7 0 92 383.472 9 ↓

Analogs

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Popular Name: N-(2-isopropoxyphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-isopropoxyphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 8.18 -9.38 2 6 0 71 383.492 10 ↓
Lo Low (pH 4.5-6) 3.24 8.57 -25.28 3 6 0 72 384.5 10 ↓

Analogs

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Popular Name: N'-[4-(N-methylanilino)butyl]-N-(3-propoxyphenyl)oxamide N'-[4-(N-methylanilino)butyl]-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 8.13 -10.65 2 6 0 71 383.492 11 ↓
Lo Low (pH 4.5-6) 3.40 8.55 -82.86 3 6 0 72 384.5 11 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(4-fluoro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 8.07 -8.18 2 5 0 61 357.429 8 ↓
Lo Low (pH 4.5-6) 3.03 8.5 -81.04 3 5 0 63 358.437 8 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-ethylphenyl)-N'-[4-(N-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) 3.36 8.77 -8.29 2 5 0 61 353.466 9 ↓
Lo Low (pH 4.5-6) 3.36 9.2 -24.5 3 5 0 63 354.474 9 ↓

Analogs

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Popular Name: N-(4-isopropoxyphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(4-isopropoxyphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 7.98 -9.33 2 6 0 71 383.492 10 ↓
Lo Low (pH 4.5-6) 3.29 8.4 -25.66 3 6 0 72 384.5 10 ↓

Analogs

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Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(4-chloro-3-fluoro-phenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 7.68 -9.77 2 5 0 61 377.847 8 ↓
Hi High (pH 8-9.5) 3.45 6.89 -40.1 1 5 -1 68 376.839 8 ↓
Lo Low (pH 4.5-6) 3.26 8.12 -80.18 3 5 0 63 378.855 8 ↓

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-fluoro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 7.9 -8.53 2 5 0 61 357.429 8 ↓
Lo Low (pH 4.5-6) 3.03 8.32 -79.48 3 5 0 63 358.437 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-chloro-4-methoxy-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3-chloro-4-methoxy-phenyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 6.97 -10.96 2 6 0 71 389.883 9 ↓
Lo Low (pH 4.5-6) 3.15 7.4 -78.85 3 6 0 72 390.891 9 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3-ethylphenyl)-N'-[4-(N-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) 3.38 8.55 -8.35 2 5 0 61 353.466 9 ↓
Lo Low (pH 4.5-6) 3.38 8.99 -24.55 3 5 0 63 354.474 9 ↓

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-fluoro-5-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 7.89 -8.79 2 5 0 61 357.429 8 ↓
Lo Low (pH 4.5-6) 3.03 8.32 -80.22 3 5 0 63 358.437 8 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(5-chloro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 8.53 -8.94 2 5 0 61 373.884 8 ↓
Lo Low (pH 4.5-6) 3.54 8.95 -77.49 3 5 0 63 374.892 8 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-isopropylphenyl)-N'-[4-(N-m…

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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) 3.48 9.26 -8.12 2 5 0 61 367.493 9 ↓
Lo Low (pH 4.5-6) 3.48 9.69 -24.23 3 5 0 63 368.501 9 ↓

Analogs

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Popular Name: N-[4-(N-methylanilino)butyl]-N'-(2,3,4-trifluorophenyl)oxamide N-[4-(N-methylanilino)butyl]-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.35 -8.95 2 5 0 61 379.382 8 ↓
Hi High (pH 8-9.5) 3.02 6.5 -39.65 1 5 -1 68 378.374 8 ↓
Lo Low (pH 4.5-6) 2.84 7.77 -82.66 3 5 0 63 380.39 8 ↓

Analogs

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Popular Name: N'-(2-chloro-4-fluoro-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(2-chloro-4-fluoro-phenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 7.81 -7.23 2 5 0 61 377.847 8 ↓
Hi High (pH 8-9.5) 3.45 7.01 -41.37 1 5 -1 68 376.839 8 ↓
Lo Low (pH 4.5-6) 3.26 8.24 -79.28 3 5 0 63 378.855 8 ↓

Analogs

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Popular Name: N'-(2,3-dichlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(2,3-dichlorophenyl)-N-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 8.21 -8.24 2 5 0 61 394.302 8 ↓
Hi High (pH 8-9.5) 3.94 7.42 -43.32 1 5 -1 68 393.294 8 ↓
Lo Low (pH 4.5-6) 3.75 8.63 -76.3 3 5 0 63 395.31 8 ↓

Analogs

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Popular Name: N'-(3-chloro-4-fluoro-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3-chloro-4-fluoro-phenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 7.68 -9.66 2 5 0 61 377.847 8 ↓
Lo Low (pH 4.5-6) 3.26 8.11 -80.9 3 5 0 63 378.855 8 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3,5-dimethylphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 8.46 -8.71 2 5 0 61 353.466 8 ↓
Lo Low (pH 4.5-6) 3.32 8.88 -24.97 3 5 0 63 354.474 8 ↓

Analogs

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Popular Name: N'-(4-chloro-2-fluoro-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(4-chloro-2-fluoro-phenyl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 7.74 -7.33 2 5 0 61 377.847 8 ↓
Hi High (pH 8-9.5) 3.45 6.9 -42.88 1 5 -1 68 376.839 8 ↓
Lo Low (pH 4.5-6) 3.26 8.16 -78.44 3 5 0 63 378.855 8 ↓

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(5-fluoro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 8.07 -9.63 2 5 0 61 357.429 8 ↓
Lo Low (pH 4.5-6) 3.03 8.49 -80.41 3 5 0 63 358.437 8 ↓

Analogs

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Popular Name: N-[4-(N-methylanilino)butyl]-N'-[4-(trifluoromethyl)phenyl]oxamide N-[4-(N-methylanilino)butyl]-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 8.12 -8.48 2 5 0 61 393.409 9 ↓
Hi High (pH 8-9.5) 3.57 7.32 -42.76 1 5 -1 68 392.401 9 ↓
Lo Low (pH 4.5-6) 3.39 8.54 -78.75 3 5 0 63 394.417 9 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3-fluoro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 7.81 -10.07 2 5 0 61 357.429 8 ↓
Lo Low (pH 4.5-6) 3.03 8.24 -79.8 3 5 0 63 358.437 8 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3-chloro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 8.21 -9.33 2 5 0 61 373.884 8 ↓
Lo Low (pH 4.5-6) 3.54 8.64 -77.37 3 5 0 63 374.892 8 ↓

Analogs

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Popular Name: N-[4-(N-methylanilino)butyl]-N'-(3-methylsulfanylphenyl)oxamide N-[4-(N-methylanilino)butyl]-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 8.14 -10.53 2 5 0 61 371.506 9 ↓
Lo Low (pH 4.5-6) 2.90 8.56 -80.77 3 5 0 63 372.514 9 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(4-chlorophenyl)-N-[4-(N-meth…

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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) 3.17 7.63 -8.02 2 5 0 61 359.857 8 ↓
Lo Low (pH 4.5-6) 3.17 8.06 -77.32 3 5 0 63 360.865 8 ↓

Analogs

39706649
39706649

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Popular Name: N-[4-(N-methylanilino)butyl]-N'-[2-(trifluoromethyl)phenyl]oxamide N-[4-(N-methylanilino)butyl]-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 8.39 -9.2 2 5 0 61 393.409 9 ↓
Hi High (pH 8-9.5) 3.52 7.62 -45.96 1 5 -1 68 392.401 9 ↓
Lo Low (pH 4.5-6) 3.34 8.82 -78.12 3 5 0 63 394.417 9 ↓

Analogs

39706650
39706650

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Popular Name: N-[4-(N-methylanilino)butyl]-N'-[3-(trifluoromethyl)phenyl]oxamide N-[4-(N-methylanilino)butyl]-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 8.12 -10.14 2 5 0 61 393.409 9 ↓
Hi High (pH 8-9.5) 3.55 7.33 -43.14 1 5 -1 68 392.401 9 ↓
Lo Low (pH 4.5-6) 3.36 8.56 -80.6 3 5 0 63 394.417 9 ↓

Analogs

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Popular Name: N'-(5-chloro-2-methoxy-phenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(5-chloro-2-methoxy-phenyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.03 -9.51 2 6 0 71 389.883 9 ↓
Lo Low (pH 4.5-6) 3.15 7.46 -80.39 3 6 0 72 390.891 9 ↓

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(4-chloro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 8.52 -7.81 2 5 0 61 373.884 8 ↓
Lo Low (pH 4.5-6) 3.54 8.95 -24.34 3 5 0 63 374.892 8 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3-chloro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.4 -7.8 2 5 0 61 373.884 8 ↓
Lo Low (pH 4.5-6) 3.52 8.83 -76.35 3 5 0 63 374.892 8 ↓

Analogs

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Popular Name: N'-(2,4-dichlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(2,4-dichlorophenyl)-N-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.25 -7.01 2 5 0 61 394.302 8 ↓
Hi High (pH 8-9.5) 3.96 7.45 -41.76 1 5 -1 68 393.294 8 ↓
Lo Low (pH 4.5-6) 3.77 8.67 -76.32 3 5 0 63 395.31 8 ↓

Analogs

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Popular Name: N'-(3,5-dichlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3,5-dichlorophenyl)-N-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.14 -7.37 2 5 0 61 394.302 8 ↓
Hi High (pH 8-9.5) 3.96 7.34 -41.94 1 5 -1 68 393.294 8 ↓
Lo Low (pH 4.5-6) 3.77 8.57 -76.65 3 5 0 63 395.31 8 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-chloro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 8.4 -8.02 2 5 0 61 373.884 8 ↓
Lo Low (pH 4.5-6) 3.54 8.83 -77.36 3 5 0 63 374.892 8 ↓

Analogs

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Popular Name: N-(4-isopropylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(4-isopropylphenyl)-N'-[4-(N-m…

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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) 4.00 9.03 -8.3 2 5 0 61 367.493 9 ↓
Lo Low (pH 4.5-6) 4.00 9.46 -24.48 3 5 0 63 368.501 9 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2,5-dimethylphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 8.63 -8.71 2 5 0 61 353.466 8 ↓
Lo Low (pH 4.5-6) 3.32 9.05 -24.96 3 5 0 63 354.474 8 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2,3-dimethylphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 8.52 -8.68 2 5 0 61 353.466 8 ↓
Lo Low (pH 4.5-6) 3.29 8.95 -24.93 3 5 0 63 354.474 8 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(3,4-dimethylphenyl)-N'-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 8.35 -8.87 2 5 0 61 353.466 8 ↓
Lo Low (pH 4.5-6) 3.32 8.77 -25.07 3 5 0 63 354.474 8 ↓

Analogs

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Popular Name: N'-(2-chlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(2-chlorophenyl)-N-[4-(N-meth…

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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) 3.12 7.74 -8.34 2 5 0 61 359.857 8 ↓
Hi High (pH 8-9.5) 3.31 6.95 -46.73 1 5 -1 68 358.849 8 ↓
Lo Low (pH 4.5-6) 3.12 8.17 -24.3 3 5 0 63 360.865 8 ↓

Analogs

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Popular Name: N'-(3,4-dichlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3,4-dichlorophenyl)-N-[4-(N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.09 -9.09 2 5 0 61 394.302 8 ↓
Hi High (pH 8-9.5) 3.96 7.29 -40.63 1 5 -1 68 393.294 8 ↓
Lo Low (pH 4.5-6) 3.77 8.51 -77.75 3 5 0 63 395.31 8 ↓

Analogs

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Popular Name: N'-(3-chlorophenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3-chlorophenyl)-N-[4-(N-meth…

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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) 3.15 7.63 -9.23 2 5 0 61 359.857 8 ↓
Lo Low (pH 4.5-6) 3.15 8.06 -77.31 3 5 0 63 360.865 8 ↓

Analogs

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Popular Name: N'-(3-ethynylphenyl)-N-[4-(N-methylanilino)butyl]oxamide N'-(3-ethynylphenyl)-N-[4-(N-met…

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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 8.31 -11.03 2 5 0 61 349.434 8 ↓
Lo Low (pH 4.5-6) 2.23 8.74 -89.3 3 5 0 63 350.442 8 ↓

Analogs

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Popular Name: N-(2-isobutoxyphenyl)-N'-[4-(N-methylanilino)butyl]oxamide N-(2-isobutoxyphenyl)-N'-[4-(N-m…

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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) 3.62 8.94 -9.11 2 6 0 71 397.519 11 ↓
Lo Low (pH 4.5-6) 3.62 9.37 -25.05 3 6 0 72 398.527 11 ↓

Parameters Provided:

ring.id = 143458
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 = 143458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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