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ZINC Item

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19432704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-fluorophenyl)-3,4-dihy…

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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)	2.57	5.56	-13.63	2	4	0	50	272.279	2	↓ MOL2 SDF SMILES Flexibase

19432705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-fluorophenyl)-3,4-dihy…

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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)	2.57	5.57	-14.07	2	4	0	50	272.279	2	↓ MOL2 SDF SMILES Flexibase

19434952

Analogs

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Popular Name: (2S)-N-(5-fluoro-2-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-fluoro-2-methyl-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)	3.00	6.31	-19.23	2	4	0	50	286.306	2	↓ MOL2 SDF SMILES Flexibase

19434954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-fluoro-2-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-fluoro-2-methyl-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)	3.00	6.33	-19.96	2	4	0	50	286.306	2	↓ MOL2 SDF SMILES Flexibase

19435947

Analogs

37043922
37043923

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-bromo-2-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-bromo-2-methyl-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)	3.64	6.92	-16.34	2	4	0	50	347.212	2	↓ MOL2 SDF SMILES Flexibase

19435949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-bromo-2-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-bromo-2-methyl-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)	3.64	6.87	-16.66	2	4	0	50	347.212	2	↓ MOL2 SDF SMILES Flexibase

19436502

Analogs

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Popular Name: (2S)-N-(2-bromo-4-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-bromo-4-methyl-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)	3.64	6.88	-12.77	2	4	0	50	347.212	2	↓ MOL2 SDF SMILES Flexibase

19436504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-bromo-4-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-bromo-4-methyl-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)	3.64	6.9	-13	2	4	0	50	347.212	2	↓ MOL2 SDF SMILES Flexibase

19438109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-bromophenyl)-3,4-dihyd…

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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)	3.24	6.09	-18.81	2	4	0	50	333.185	2	↓ MOL2 SDF SMILES Flexibase

19438111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-bromophenyl)-3,4-dihyd…

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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)	3.24	6.09	-14.9	2	4	0	50	333.185	2	↓ MOL2 SDF SMILES Flexibase

19439896

Analogs

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Popular Name: (2S)-N-(2-cyanophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-cyanophenyl)-3,4-dihyd…

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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)	2.16	5.91	-13.32	2	5	0	74	279.299	2	↓ MOL2 SDF SMILES Flexibase

19439898

Analogs

37029225
37029226
37040666
37040668

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyanophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-cyanophenyl)-3,4-dihyd…

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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)	2.16	5.89	-13.17	2	5	0	74	279.299	2	↓ MOL2 SDF SMILES Flexibase

19441125

Analogs

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

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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	5.97	-16.9	2	4	0	50	288.734	2	↓ MOL2 SDF SMILES Flexibase

19441127

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.99	-16.52	2	4	0	50	288.734	2	↓ MOL2 SDF SMILES Flexibase

19998922

Analogs

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Popular Name: (2S)-N-(4-chloro-2-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-chloro-2-methyl-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)	3.51	6.81	-16.38	2	4	0	50	302.761	2	↓ MOL2 SDF SMILES Flexibase

19998924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chloro-2-methyl-phenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-chloro-2-methyl-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)	3.51	6.77	-16.7	2	4	0	50	302.761	2	↓ MOL2 SDF SMILES Flexibase

12039161

Analogs

12039164

Draw Identity 99% 90% 80% 70%

Popular Name: 7-acetyl-N-(4-methylsulfanylphenyl)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxamide 7-acetyl-N-(4-methylsulfanylphen…

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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)	2.50	-0.39	-18.46	1	5	0	59	342.42	3	↓ MOL2 SDF SMILES Flexibase

12039164

Analogs

12039161

Draw Identity 99% 90% 80% 70%

Popular Name: 7-acetyl-N-(4-methylsulfanylphenyl)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxamide 7-acetyl-N-(4-methylsulfanylphen…

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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)	2.50	-0.38	-17.58	1	5	0	59	342.42	3	↓ MOL2 SDF SMILES Flexibase

13677013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(3-chloro-4-methoxy-pheny…

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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)	3.11	5.61	-18.84	1	7	0	85	410.879	5	↓ MOL2 SDF SMILES Flexibase

13677015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(3-chloro-4-methoxy-pheny…

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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)	3.11	5.71	-18.27	1	7	0	85	410.879	5	↓ MOL2 SDF SMILES Flexibase

13677127

Analogs

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Popular Name: (2S)-N-(2,5-dimethylphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(2,5-dimethylphenyl)-4-et…

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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)	3.28	7.42	-15.15	1	6	0	76	374.462	4	↓ MOL2 SDF SMILES Flexibase

13677129

Analogs

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Popular Name: (2R)-N-(2,5-dimethylphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(2,5-dimethylphenyl)-4-et…

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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)	3.28	7.35	-15.32	1	6	0	76	374.462	4	↓ MOL2 SDF SMILES Flexibase

13677228

Analogs

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Popular Name: (2S)-N-[2-(diethylcarbamoyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-[2-(diethylcarbamoyl)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)	2.12	7.94	-17.92	1	8	0	96	445.541	7	↓ MOL2 SDF SMILES Flexibase

13677230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(diethylcarbamoyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-[2-(diethylcarbamoyl)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)	2.12	7.9	-19.4	1	8	0	96	445.541	7	↓ MOL2 SDF SMILES Flexibase

13677236

Analogs

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Popular Name: dimethyl dimethyl

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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)	2.90	7.52	-20.25	1	10	0	128	462.48	8	↓ MOL2 SDF SMILES Flexibase

13677238

Analogs

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Popular Name: dimethyl dimethyl

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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)	2.90	7.54	-20.12	1	10	0	128	462.48	8	↓ MOL2 SDF SMILES Flexibase

13677359

Analogs

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Popular Name: (2S)-N-(2,5-dichlorophenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(2,5-dichlorophenyl)-4-et…

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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)	3.74	6.88	-13.66	1	6	0	76	415.298	4	↓ MOL2 SDF SMILES Flexibase

13677361

Analogs

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Popular Name: (2R)-N-(2,5-dichlorophenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(2,5-dichlorophenyl)-4-et…

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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)	3.74	7	-13.63	1	6	0	76	415.298	4	↓ MOL2 SDF SMILES Flexibase

13677496

Analogs

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Popular Name: (2S)-N-(2,4-dichlorophenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(2,4-dichlorophenyl)-4-et…

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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)	3.74	6.87	-12.26	1	6	0	76	415.298	4	↓ MOL2 SDF SMILES Flexibase

13677498

Analogs

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Popular Name: (2R)-N-(2,4-dichlorophenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(2,4-dichlorophenyl)-4-et…

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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)	3.74	6.95	-12.24	1	6	0	76	415.298	4	↓ MOL2 SDF SMILES Flexibase

13677506

Analogs

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Popular Name: (2S)-N-(4-carbamoylphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(4-carbamoylphenyl)-4-eth…

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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)	1.27	2.57	-19.44	3	8	0	119	389.433	5	↓ MOL2 SDF SMILES Flexibase

13677508

Analogs

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Popular Name: (2R)-N-(4-carbamoylphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(4-carbamoylphenyl)-4-eth…

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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)	1.27	2.54	-19.54	3	8	0	119	389.433	5	↓ MOL2 SDF SMILES Flexibase

13677557

Analogs

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Popular Name: (2S)-N-(2-ethyl-6-methyl-phenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(2-ethyl-6-methyl-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)	2.78	8.42	-15.41	1	6	0	76	388.489	5	↓ MOL2 SDF SMILES Flexibase

13677559

Analogs

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Popular Name: (2R)-N-(2-ethyl-6-methyl-phenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(2-ethyl-6-methyl-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)	2.78	8.2	-14.46	1	6	0	76	388.489	5	↓ MOL2 SDF SMILES Flexibase

13677623

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Popular Name: (2S)-N-(4-bromo-3-methyl-phenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(4-bromo-3-methyl-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)	3.64	6.96	-15.03	1	6	0	76	439.331	4	↓ MOL2 SDF SMILES Flexibase

13677625

Analogs

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Popular Name: (2R)-N-(4-bromo-3-methyl-phenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(4-bromo-3-methyl-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)	3.64	7.06	-15.21	1	6	0	76	439.331	4	↓ MOL2 SDF SMILES Flexibase

13677672

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-ethylsulfonyl-N-(2-methox…

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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)	2.46	5.14	-15.29	1	7	0	85	376.434	5	↓ MOL2 SDF SMILES Flexibase

13677674

Analogs

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Popular Name: (2R)-4-ethylsulfonyl-N-(2-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-ethylsulfonyl-N-(2-methox…

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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)	2.46	5.25	-15.11	1	7	0	85	376.434	5	↓ MOL2 SDF SMILES Flexibase

13677710

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-N-(2-methyl-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-ethylsulfonyl-N-(2-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	7.35	-22.75	1	9	0	122	405.432	5	↓ MOL2 SDF SMILES Flexibase

13677712

Analogs

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Popular Name: (2R)-4-ethylsulfonyl-N-(2-methyl-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-ethylsulfonyl-N-(2-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	7.35	-22.78	1	9	0	122	405.432	5	↓ MOL2 SDF SMILES Flexibase

13677823

Analogs

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Popular Name: (2S)-N-(2,6-dimethylphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-(2,6-dimethylphenyl)-4-et…

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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)	2.32	7.39	-14.78	1	6	0	76	374.462	4	↓ MOL2 SDF SMILES Flexibase

13677825

Analogs

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Popular Name: (2R)-N-(2,6-dimethylphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-(2,6-dimethylphenyl)-4-et…

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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)	2.32	7.44	-15.15	1	6	0	76	374.462	4	↓ MOL2 SDF SMILES Flexibase

13678005

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-ethylsulfonyl-N-[2-(trifl…

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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)	3.30	6.99	-13.57	1	6	0	76	414.405	5	↓ MOL2 SDF SMILES Flexibase

13678007

Analogs

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Popular Name: (2R)-4-ethylsulfonyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-ethylsulfonyl-N-[2-(trifl…

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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)	3.30	7.06	-13.73	1	6	0	76	414.405	5	↓ MOL2 SDF SMILES Flexibase

13678369

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-N-(2,4,5-trichlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-ethylsulfonyl-N-(2,4,5-tr…

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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)	4.34	7.32	-12.7	1	6	0	76	449.743	4	↓ MOL2 SDF SMILES Flexibase

13678371

Analogs

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Popular Name: (2R)-4-ethylsulfonyl-N-(2,4,5-trichlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-ethylsulfonyl-N-(2,4,5-tr…

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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)	4.34	7.45	-12.79	1	6	0	76	449.743	4	↓ MOL2 SDF SMILES Flexibase

13678528

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-N-(4-iodophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-ethylsulfonyl-N-(4-iodoph…

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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)	3.54	6.86	-14.8	1	6	0	76	472.304	4	↓ MOL2 SDF SMILES Flexibase

13678530

Analogs

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Popular Name: (2R)-4-ethylsulfonyl-N-(4-iodophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-ethylsulfonyl-N-(4-iodoph…

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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)	3.54	6.96	-14.52	1	6	0	76	472.304	4	↓ MOL2 SDF SMILES Flexibase

13678575

Analogs

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Popular Name: (2S)-4-ethylsulfonyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-ethylsulfonyl-N-(3-methox…

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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)	2.48	5.05	-15.64	1	7	0	85	376.434	5	↓ MOL2 SDF SMILES Flexibase

13678577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-ethylsulfonyl-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-ethylsulfonyl-N-(3-methox…

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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)	2.48	5.16	-18.09	1	7	0	85	376.434	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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