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Analogs

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Popular Name: 4-methoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-methoxy-N-(4,4,6-trimethyl-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) 3.31 0.41 -15.6 1 6 0 68 354.406 3 ↓

Analogs

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Popular Name: 3,5-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 3,5-dimethoxy-N-(4,4,6-trimethyl…

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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) 3.30 0.42 -17 1 7 0 77 384.432 4 ↓

Analogs

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Popular Name: 3,4,5-trimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 3,4,5-trimethoxy-N-(4,4,6-trimet…

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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) 2.89 1.19 -17.81 1 8 0 86 414.458 5 ↓

Analogs

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Popular Name: 2-methyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 2-methyl-N-(2,4,4-trimethyl-3-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 0.63 -13.46 1 5 0 59 338.407 2 ↓

Analogs

8958840
8958840
8958997
8958997
8959137
8959137

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Popular Name: 3-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-nitro-N-(4,4,6-trimethyl-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) 3.19 0.89 -22.59 1 8 0 104 369.377 3 ↓

Analogs

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Popular Name: 4-chloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-chloro-N-(4,4,6-trimethyl-5-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 0.23 -15.27 1 5 0 59 358.825 2 ↓

Analogs

8958844
8958844
8958999
8958999
8959139
8959139

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Popular Name: 4-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-nitro-N-(4,4,6-trimethyl-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) 3.22 0.89 -17.73 1 8 0 104 369.377 3 ↓

Analogs

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Popular Name: 4-isopropoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 4-isopropoxy-N-(2,4,4-trimethyl-…

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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) 4.05 0.71 -14.62 1 6 0 68 382.46 4 ↓

Analogs

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Popular Name: 2-ethoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 2-ethoxy-N-(2,4,4-trimethyl-3-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.19 1.06 -17.23 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 4-butoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 4-butoxy-N-(2,4,4-trimethyl-3-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.75 0.62 -15.06 1 6 0 68 396.487 6 ↓

Analogs

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Popular Name: 2,3-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 2,3-dimethoxy-N-(4,4,6-trimethyl…

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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 1.32 -18.79 1 7 0 77 384.432 4 ↓

Analogs

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Popular Name: 2,6-difluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2,6-difluoro-N-(4,4,6-trimethyl-…

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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) 3.49 1.54 -16.32 1 5 0 59 360.36 2 ↓

Analogs

8958870
8958870
8959020
8959020
8959156
8959156

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Popular Name: 2-methyl-3-nitro-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzam 2-methyl-3-nitro-N-(2,4,4-trimet…

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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 1.05 -21.99 1 8 0 104 383.404 3 ↓

Analogs

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Popular Name: 2,6-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 2,6-dimethoxy-N-(4,4,6-trimethyl…

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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 0.27 -17.76 1 7 0 77 384.432 4 ↓

Analogs

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Popular Name: 5-bromo-2-chloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 5-bromo-2-chloro-N-(4,4,6-trimet…

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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) 4.67 -0.5 -13.39 1 5 0 59 437.721 2 ↓

Analogs

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Popular Name: 3-(trifluoromethyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-be 3-(trifluoromethyl)-N-(4,4,6-tri…

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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) 4.13 2.55 -17.24 1 5 0 59 392.377 3 ↓

Analogs

8959162
8959162

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Popular Name: 5-chloro-2-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 5-chloro-2-nitro-N-(4,4,6-trimet…

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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) 3.82 0.75 -19.58 1 8 0 104 403.822 3 ↓

Analogs

8958736
8958736
8958878
8958878
8959029
8959029
8959163
8959163

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Popular Name: 2-chloro-5-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 2-chloro-5-nitro-N-(4,4,6-trimet…

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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) 3.82 0.77 -14.82 1 8 0 104 403.822 3 ↓

Analogs

8958883
8958883
8959034
8959034
8959167
8959167

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Popular Name: 3-methyl-4-nitro-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzam 3-methyl-4-nitro-N-(2,4,4-trimet…

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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) 3.59 1.13 -17.2 1 8 0 104 383.404 3 ↓

Analogs

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Popular Name: 4-(trifluoromethyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-be 4-(trifluoromethyl)-N-(4,4,6-tri…

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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) 4.15 2.53 -14.72 1 5 0 59 392.377 3 ↓

Analogs

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Popular Name: 5-chloro-2-methoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ben 5-chloro-2-methoxy-N-(4,4,6-trim…

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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) 4.47 0.9 -15.26 1 6 0 68 388.851 3 ↓

Analogs

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Popular Name: 2-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2-fluoro-N-(4,4,6-trimethyl-5-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 1.05 -18.57 1 5 0 59 342.37 2 ↓

Analogs

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Popular Name: 4-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-fluoro-N-(4,4,6-trimethyl-5-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 1.13 -14.6 1 5 0 59 342.37 2 ↓

Analogs

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Popular Name: 2-(trifluoromethyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-be 2-(trifluoromethyl)-N-(4,4,6-tri…

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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) 4.10 2.33 -18.72 1 5 0 59 392.377 3 ↓

Analogs

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Popular Name: 2-chloro-6-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benz 2-chloro-6-fluoro-N-(4,4,6-trime…

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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 0.63 -15.43 1 5 0 59 376.815 2 ↓

Analogs

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Popular Name: 3-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-fluoro-N-(4,4,6-trimethyl-5-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 1.12 -14.19 1 5 0 59 342.37 2 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 3,5-dimethyl-N-(2,4,4-trimethyl-…

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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) 4.08 1.03 -14.26 1 5 0 59 352.434 2 ↓

Analogs

8959181
8959181

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Popular Name: 4,5-dimethoxy-2-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)- 4,5-dimethoxy-2-nitro-N-(4,4,6-t…

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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) 2.79 1.26 -21.87 1 10 0 123 429.429 5 ↓

Analogs

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Popular Name: [2-[(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)carbamoyl]phenyl] [2-[(2,4,4-trimethyl-3-oxo-6-oxa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 2.13 -19.82 1 7 0 85 382.416 4 ↓

Analogs

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Popular Name: 2,5-dichloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2,5-dichloro-N-(4,4,6-trimethyl-…

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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) 4.54 0.11 -13.55 1 5 0 59 393.27 2 ↓

Analogs

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Popular Name: 2,4-dichloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2,4-dichloro-N-(4,4,6-trimethyl-…

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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) 4.54 0.11 -15.28 1 5 0 59 393.27 2 ↓

Analogs

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Popular Name: 3,4-dichloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3,4-dichloro-N-(4,4,6-trimethyl-…

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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) 4.54 0.1 -17.07 1 5 0 59 393.27 2 ↓

Analogs

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Popular Name: 3,4-diethoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 3,4-diethoxy-N-(2,4,4-trimethyl-…

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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) 3.66 0.76 -17.77 1 7 0 77 412.486 6 ↓

Analogs

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Popular Name: 2-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2-nitro-N-(4,4,6-trimethyl-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) 3.17 0.89 -24.33 1 8 0 104 369.377 3 ↓

Analogs

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Popular Name: 2-methoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2-methoxy-N-(4,4,6-trimethyl-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) 3.81 1.05 -17.33 1 6 0 68 354.406 3 ↓

Analogs

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Popular Name: 3-bromo-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-bromo-N-(4,4,6-trimethyl-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) 4.04 -0.38 -13.74 1 5 0 59 403.276 2 ↓

Analogs

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Popular Name: 3-methoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-methoxy-N-(4,4,6-trimethyl-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) 3.29 0.39 -17.26 1 6 0 68 354.406 3 ↓

Analogs

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Popular Name: 4-bromo-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-bromo-N-(4,4,6-trimethyl-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) 4.07 -0.38 -15.22 1 5 0 59 403.276 2 ↓

Analogs

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Popular Name: 2-chloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2-chloro-N-(4,4,6-trimethyl-5-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 0.26 -16.12 1 5 0 59 358.825 2 ↓

Analogs

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Popular Name: 3-chloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-chloro-N-(4,4,6-trimethyl-5-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 0.23 -13.9 1 5 0 59 358.825 2 ↓

Analogs

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Popular Name: 3,4-dimethyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 3,4-dimethyl-N-(2,4,4-trimethyl-…

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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) 4.08 0.98 -14.57 1 5 0 59 352.434 2 ↓

Analogs

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Popular Name: 4-ethoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 4-ethoxy-N-(2,4,4-trimethyl-3-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 0.43 -15.4 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 3,4,5-triethoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzami 3,4,5-triethoxy-N-(2,4,4-trimeth…

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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) 4.01 1.15 -17.26 1 8 0 86 456.539 8 ↓

Analogs

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Popular Name: 2-bromo-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2-bromo-N-(4,4,6-trimethyl-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) 4.02 -0.29 -15.64 1 5 0 59 403.276 2 ↓

Analogs

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Popular Name: 3,4-difluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3,4-difluoro-N-(4,4,6-trimethyl-…

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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) 3.51 1.85 -18.72 1 5 0 59 360.36 2 ↓

Analogs

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Popular Name: 2,4-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 2,4-dimethoxy-N-(4,4,6-trimethyl…

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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) 3.85 1.09 -18.25 1 7 0 77 384.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 3,4-dimethoxy-N-(4,4,6-trimethyl…

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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 0.74 -18.03 1 7 0 77 384.432 4 ↓

Analogs

8958961
8958961
8959103
8959103

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Popular Name: 4-methyl-3-nitro-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzam 4-methyl-3-nitro-N-(2,4,4-trimet…

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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) 3.59 1.08 -22.43 1 8 0 104 383.404 3 ↓

Analogs

8958964
8958964
8959104
8959104
8959222
8959222

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 4-chloro-3-nitro-N-(4,4,6-trimet…

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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) 3.82 0.72 -22.15 1 8 0 104 403.822 3 ↓

Analogs

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Popular Name: 4-tert-butyl-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-tert-butyl-N-(4,4,6-trimethyl-…

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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) 4.96 1.53 -13.91 1 5 0 59 380.488 3 ↓

Parameters Provided:

ring.id = 10803
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 = 10803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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