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ZINC Item

Suppliers, Protomers, & Similar Substances

71557655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dichlorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazine 4-(3,4-dichlorophenyl)sulfonyl-2…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.91	7.36	-8.4	0	4	0	47	372.273	2	↓ MOL2 SDF SMILES Flexibase

71557673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chlorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazine 4-(4-chlorophenyl)sulfonyl-2,2-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.89	-8.88	0	4	0	47	337.828	2	↓ MOL2 SDF SMILES Flexibase

71557720

Analogs

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Popular Name: (2S)-4-(3,4-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydro-1,4-benzoxazine (2S)-4-(3,4-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.46	6.74	-9.04	0	4	0	47	358.246	2	↓ MOL2 SDF SMILES Flexibase

71557758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydro-1,4-benzoxazine (2S)-4-(4-chlorophenyl)sulfonyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	6.29	-8.92	0	4	0	47	323.801	2	↓ MOL2 SDF SMILES Flexibase

71557838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(3,4-dichlorophenyl)sulfonyl-2-ethyl-2,3-dihydro-1,4-benzoxazine (2S)-4-(3,4-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.97	7.54	-8.91	0	4	0	47	372.273	3	↓ MOL2 SDF SMILES Flexibase

71557872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(4-chlorophenyl)sulfonyl-2-ethyl-2,3-dihydro-1,4-benzoxazine (2S)-4-(4-chlorophenyl)sulfonyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	7.1	-8.75	0	4	0	47	337.828	3	↓ MOL2 SDF SMILES Flexibase

71557896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,4-dichlorophenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine 4-(3,4-dichlorophenyl)sulfonyl-6…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.53	6.69	-8.88	0	4	0	47	358.246	2	↓ MOL2 SDF SMILES Flexibase

18940790

Analogs

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Popular Name: (2S)-4-(4-bromophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-bromophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	6.59	-13.47	1	6	0	76	439.331	5	↓ MOL2 SDF SMILES Flexibase

18940791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-bromophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-bromophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	6.53	-13.5	1	6	0	76	439.331	5	↓ MOL2 SDF SMILES Flexibase

18940792

Analogs

31720347
31720349

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(4-nitrophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-nitrophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	6.63	-16.44	1	9	0	122	405.432	6	↓ MOL2 SDF SMILES Flexibase

18940793

Analogs

31720347
31720349

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-nitrophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-nitrophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	6.58	-16.3	1	9	0	122	405.432	6	↓ MOL2 SDF SMILES Flexibase

18940794

Analogs

31720328
31720332

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(4-acetamidophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-acetamidophenyl)sulfon…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	4.86	-20.58	2	8	0	105	417.487	6	↓ MOL2 SDF SMILES Flexibase

18940795

Analogs

31720328
31720332

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-acetamidophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-acetamidophenyl)sulfon…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	4.79	-20.48	2	8	0	105	417.487	6	↓ MOL2 SDF SMILES Flexibase

18940796

Analogs

31720347
31720349
31720770
31720771

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2-methyl-5-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(2-methyl-5-nitro-phenyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	7.28	-20.05	1	9	0	122	419.459	6	↓ MOL2 SDF SMILES Flexibase

18940797

Analogs

31720347
31720349
31720770
31720771

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-methyl-5-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(2-methyl-5-nitro-phenyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	7.14	-18.25	1	9	0	122	419.459	6	↓ MOL2 SDF SMILES Flexibase

18940798

Analogs

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Popular Name: (2S)-4-(4-chloro-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-chloro-3-nitro-phenyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	7.01	-18.21	1	9	0	122	439.877	6	↓ MOL2 SDF SMILES Flexibase

18940799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-chloro-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-chloro-3-nitro-phenyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	6.95	-17.91	1	9	0	122	439.877	6	↓ MOL2 SDF SMILES Flexibase

18940800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2-nitrophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(2-nitrophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	7.72	-22.78	1	9	0	122	405.432	6	↓ MOL2 SDF SMILES Flexibase

18940801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-nitrophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(2-nitrophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	7.76	-22.83	1	9	0	122	405.432	6	↓ MOL2 SDF SMILES Flexibase

18940802

Analogs

8167604
8167608

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-propyl-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-propyl-4-(2,4,6-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	7.69	-13.68	1	6	0	76	402.516	5	↓ MOL2 SDF SMILES Flexibase

18940803

Analogs

8167604
8167608

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-propyl-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-propyl-4-(2,4,6-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	8.08	-14.68	1	6	0	76	402.516	5	↓ MOL2 SDF SMILES Flexibase

18940804

Analogs

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Popular Name: (2S)-4-(3,4-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(3,4-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	6.95	-13.39	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(3,4-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(3,4-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	6.93	-13.92	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940806

Analogs

31720839
31720840

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2,5-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(2,5-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	7.02	-12.49	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940807

Analogs

31720839
31720840

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2,5-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(2,5-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	6.82	-12.53	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940810

Analogs

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Popular Name: (2S)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxami (2S)-4-[4-chloro-3-(trifluoromet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	7.38	-14.86	1	6	0	76	462.877	6	↓ MOL2 SDF SMILES Flexibase

18940811

Analogs

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Popular Name: (2R)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxami (2R)-4-[4-chloro-3-(trifluoromet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	7.33	-14.75	1	6	0	76	462.877	6	↓ MOL2 SDF SMILES Flexibase

18940812

Analogs

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Popular Name: (2S)-4-(4-acetylphenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-acetylphenyl)sulfonyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	6.37	-17.69	1	7	0	93	402.472	6	↓ MOL2 SDF SMILES Flexibase

18940813

Analogs

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Popular Name: (2R)-4-(4-acetylphenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-acetylphenyl)sulfonyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	6.37	-18.13	1	7	0	93	402.472	6	↓ MOL2 SDF SMILES Flexibase

18940814

Analogs

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Popular Name: ethyl ethyl

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	7.47	-16.07	1	8	0	102	432.498	8	↓ MOL2 SDF SMILES Flexibase

18940815

Analogs

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Popular Name: ethyl ethyl

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	7.53	-15.96	1	8	0	102	432.498	8	↓ MOL2 SDF SMILES Flexibase

18940816

Analogs

31720839
31720840

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2,3-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(2,3-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	6.94	-13.61	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940817

Analogs

31720839
31720840

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2,3-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(2,3-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	6.77	-14.24	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940818

Analogs

31720347
31720349

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-methoxy-3-nitro-phenyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	6.7	-21.11	1	10	0	131	435.458	7	↓ MOL2 SDF SMILES Flexibase

18940819

Analogs

31720347
31720349

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-methoxy-3-nitro-phenyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	6.71	-19.81	1	10	0	131	435.458	7	↓ MOL2 SDF SMILES Flexibase

18940822

Analogs

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Popular Name: (2S)-4-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[4-(diethylsulfamoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	5.68	-19.04	1	9	0	113	495.623	9	↓ MOL2 SDF SMILES Flexibase

18940823

Analogs

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Popular Name: (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[4-(diethylsulfamoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	5.62	-19.01	1	9	0	113	495.623	9	↓ MOL2 SDF SMILES Flexibase

18940826

Analogs

31720308
31720310

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Popular Name: (2S)-4-(2,6-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(2,6-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	7.03	-14.55	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940827

Analogs

31720308
31720310

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2,6-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(2,6-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	6.91	-14.76	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940828

Analogs

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Popular Name: (2S)-4-(4-bromo-2-chloro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(4-bromo-2-chloro-phenyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	7.09	-11.91	1	6	0	76	473.776	5	↓ MOL2 SDF SMILES Flexibase

18940829

Analogs

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Popular Name: (2R)-4-(4-bromo-2-chloro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(4-bromo-2-chloro-phenyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	6.94	-12.18	1	6	0	76	473.776	5	↓ MOL2 SDF SMILES Flexibase

18940834

Analogs

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Popular Name: (2S)-4-(3,5-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(3,5-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	6.98	-12.44	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940835

Analogs

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Popular Name: (2R)-4-(3,5-dichlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(3,5-dichlorophenyl)sulfo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	6.94	-12.47	1	6	0	76	429.325	5	↓ MOL2 SDF SMILES Flexibase

18940836

Analogs

31720308
31720310

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Popular Name: (2S)-4-(2-chlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(2-chlorophenyl)sulfonyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	6.49	-13.9	1	6	0	76	394.88	5	↓ MOL2 SDF SMILES Flexibase

18940837

Analogs

31720308
31720310

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-chlorophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(2-chlorophenyl)sulfonyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	6.33	-14.08	1	6	0	76	394.88	5	↓ MOL2 SDF SMILES Flexibase

18940840

Analogs

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Popular Name: (2S)-4-(3-bromophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(3-bromophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	6.58	-13.84	1	6	0	76	439.331	5	↓ MOL2 SDF SMILES Flexibase

18940841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(3-bromophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(3-bromophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	6.59	-13.82	1	6	0	76	439.331	5	↓ MOL2 SDF SMILES Flexibase

18940844

Analogs

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Popular Name: (2S)-4-(3-cyanophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-(3-cyanophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.36	-16.96	1	7	0	100	385.445	5	↓ MOL2 SDF SMILES Flexibase

18940845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(3-cyanophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-(3-cyanophenyl)sulfonyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.35	-17.5	1	7	0	100	385.445	5	↓ MOL2 SDF SMILES Flexibase

18940846

Analogs

31070303

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxami (2S)-4-[4-chloro-2-(trifluoromet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	7.98	-14	1	6	0	76	462.877	6	↓ MOL2 SDF SMILES Flexibase

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