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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-nitrophenyl)methanone (6-methyl-2,3-dihydro-1,4-benzox…

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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) 3.33 8.35 -11.65 0 6 0 75 298.298 2 ↓

Analogs

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Popular Name: (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-nitrophenyl)methanone (6-methyl-2,3-dihydro-1,4-benzox…

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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 8.34 -16.72 0 6 0 75 298.298 2 ↓

Analogs

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Popular Name: (2-aminophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (2-aminophenyl)-(2,3-dihydro-1,4…

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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) 2.38 4.99 -9.04 2 4 0 56 254.289 1 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (2-fluorophenyl)-(6-methyl-2,3-d…

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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 7.73 -14.38 0 3 0 30 271.291 1 ↓

Analogs

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Popular Name: 3-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)benzonitrile 3-(6-methyl-2,3-dihydro-1,4-benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 8.02 -14.96 0 4 0 53 278.311 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-phenyl-methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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) 3.08 7 -11.54 0 3 0 30 257.264 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(o-tolyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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 7.62 -10.76 0 3 0 30 271.291 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(m-tolyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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 7.66 -11.57 0 3 0 30 271.291 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(p-tolyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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) 3.53 7.68 -11.26 0 3 0 30 271.291 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-fluorophenyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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 7.07 -9.87 0 3 0 30 275.254 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-fluorophenyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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) 3.25 7.07 -10.64 0 3 0 30 275.254 1 ↓

Analogs

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Popular Name: (3-bromophenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (3-bromophenyl)-(6-fluoro-2,3-di…

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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) 3.87 7.61 -9.51 0 3 0 30 336.16 1 ↓

Analogs

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Popular Name: 3-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)benzonitrile 3-(6-fluoro-2,3-dihydro-1,4-benz…

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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) 2.81 7.38 -16.01 0 4 0 53 282.274 1 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-methoxyphenyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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) 3.64 6.76 -14.71 0 4 0 39 287.29 2 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methoxyphenyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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 6.3 -13.85 0 4 0 39 287.29 2 ↓

Analogs

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Popular Name: (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methoxyphenyl)methanone (6-fluoro-2,3-dihydro-1,4-benzox…

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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) 3.14 6.3 -11.42 0 4 0 39 287.29 2 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (3,5-dimethoxyphenyl)-(6-fluoro-…

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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 5.61 -12.34 0 5 0 48 317.316 3 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (3,4-dimethoxyphenyl)-(6-fluoro-…

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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) 2.73 6.22 -14.1 0 5 0 48 317.316 3 ↓

Analogs

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Popular Name: (2-chlorophenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (2-chlorophenyl)-(6-fluoro-2,3-d…

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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) 3.71 7.5 -13.14 0 3 0 30 291.709 1 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (3-chlorophenyl)-(6-fluoro-2,3-d…

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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) 3.74 7.51 -9.61 0 3 0 30 291.709 1 ↓

Analogs

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Popular Name: 3-(6-chloro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)benzonitrile 3-(6-chloro-2,3-dihydro-1,4-benz…

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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) 3.33 7.83 -15.09 0 4 0 53 298.729 1 ↓

Analogs

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Popular Name: methyl 2-[4-(3-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(3-chlorobenzoyl)-3,…

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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) 3.41 8.7 -15.7 0 5 0 56 345.782 4 ↓

Analogs

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Popular Name: methyl 2-[4-(3-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(3-chlorobenzoyl)-3,…

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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) 3.41 9.05 -18.93 0 5 0 56 345.782 4 ↓

Analogs

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Popular Name: methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(4-chlorobenzoyl)-3,…

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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) 3.43 8.7 -13.56 0 5 0 56 345.782 4 ↓

Analogs

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Popular Name: methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(4-chlorobenzoyl)-3,…

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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) 3.43 9.06 -16.14 0 5 0 56 345.782 4 ↓

Analogs

34525982
34525982
34525983
34525983
34525984
34525984
34525985
34525985
34525988
34525988

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Popular Name: methyl 2-{4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate methyl 2-{4-[3-(trifluoromethyl)…

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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) 3.63 9.2 -16.54 0 5 0 56 379.334 5 ↓

Analogs

34525982
34525982
34525983
34525983
34525984
34525984
34525985
34525985
34525988
34525988

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Popular Name: methyl 2-{4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate methyl 2-{4-[3-(trifluoromethyl)…

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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) 3.63 9.55 -19.78 0 5 0 56 379.334 5 ↓

Analogs

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Popular Name: methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate methyl 2-{4-[4-(tert-butyl)benzo…

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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) 4.46 10.88 -17.39 0 5 0 56 367.445 5 ↓

Analogs

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Popular Name: methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate methyl 2-{4-[4-(tert-butyl)benzo…

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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) 4.46 10.47 -14.7 0 5 0 56 367.445 5 ↓

Analogs

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Popular Name: methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(3,4,5-trimethoxyben…

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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 7.22 -16.23 0 8 0 84 401.415 7 ↓

Analogs

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Popular Name: methyl 2-[4-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(3,4,5-trimethoxyben…

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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 7.23 -16.03 0 8 0 84 401.415 7 ↓

Analogs

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Popular Name: methyl 2-[4-(4-bromobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(4-bromobenzoyl)-3,4…

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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) 3.56 8.82 -13.45 0 5 0 56 390.233 4 ↓

Analogs

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Popular Name: methyl 2-[4-(4-bromobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate methyl 2-[4-(4-bromobenzoyl)-3,4…

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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) 3.56 9.17 -15.95 0 5 0 56 390.233 4 ↓

Analogs

34573463
34573463
34573481
34573481
34573483
34573483

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 9 -10.24 0 5 0 56 376.206 3 ↓

Analogs

34573463
34573463
34573481
34573481
34573483
34573483

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Popular Name: methyl methyl

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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 8.98 -10.26 0 5 0 56 376.206 3 ↓

Analogs

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Popular Name: methyl methyl

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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 9.05 -12.84 0 8 0 102 342.307 4 ↓

Analogs

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Popular Name: methyl methyl

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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 9.02 -12.91 0 8 0 102 342.307 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.55 8.77 -13.48 0 6 0 80 322.32 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.55 8.75 -13.55 0 6 0 80 322.32 3 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[2-(ethylamino)phenyl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 3.13 6.77 -9.09 1 4 0 42 282.343 3 ↓

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (2-amino-4-fluoro-phenyl)-(2,3-d…

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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) 2.52 5.21 -8.18 2 4 0 56 272.279 1 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-(3,4,5-trifluorophenyl)methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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 7.15 -8.67 0 3 0 30 293.244 1 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-(4-methyl-3-methylsulfonyl-phenyl)methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 2.63 5.09 -20.28 0 5 0 64 331.393 2 ↓

Analogs

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Popular Name: (4-chloro-2-iodo-phenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (4-chloro-2-iodo-phenyl)-(2,3-di…

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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) 4.63 8.56 -8.79 0 3 0 30 399.615 1 ↓

Analogs

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Popular Name: (4-chloro-3-iodo-phenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (4-chloro-3-iodo-phenyl)-(2,3-di…

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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) 4.63 8.5 -10.13 0 3 0 30 399.615 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-iodo-phenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (5-chloro-2-iodo-phenyl)-(2,3-di…

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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) 4.63 8.57 -8.05 0 3 0 30 399.615 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-(2-iodo-3-methyl-phenyl)methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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) 4.38 8.52 -10.52 0 3 0 30 379.197 1 ↓

Analogs

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Popular Name: [3-(chloromethyl)phenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone [3-(chloromethyl)phenyl]-(2,3-di…

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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) 3.50 8.24 -11.44 0 3 0 30 287.746 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(chloromethyl)phenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone [4-(chloromethyl)phenyl]-(2,3-di…

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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 8.25 -10.86 0 3 0 30 287.746 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-[2-(methylamino)phenyl]methanone 2,3-dihydro-1,4-benzoxazin-4-yl-…

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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 5.95 -9.29 1 4 0 42 268.316 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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