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ZINC Item

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20125532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-thienylmethylamino)-4H-1,4-benzoxazin-3-one 6-(2-thienylmethylamino)-4H-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	3.41	-8.29	2	4	0	50	260.318	3	↓ MOL2 SDF SMILES Flexibase

20125538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-methyl-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one 6-[(3-methyl-2-thienyl)methylami…

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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)	2.49	4.01	-8.23	2	4	0	50	274.345	3	↓ MOL2 SDF SMILES Flexibase

20125570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(2-thienyl)ethyl]amin…

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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)	2.68	4.13	-8.03	2	4	0	50	274.345	3	↓ MOL2 SDF SMILES Flexibase

20125571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(2-thienyl)ethyl]amin…

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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)	2.68	4.12	-8.02	2	4	0	50	274.345	3	↓ MOL2 SDF SMILES Flexibase

20125606

Analogs

38001910
38001911

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-bromo-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one 6-[(5-bromo-2-thienyl)methylamin…

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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)	3.05	4.14	-8.68	2	4	0	50	339.214	3	↓ MOL2 SDF SMILES Flexibase

20125619

Analogs

41202804
41202806

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(5-methyl-2-thienyl)e…

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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	4.94	-8.15	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

20125620

Analogs

41202804
41202806

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(5-methyl-2-thienyl)e…

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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	4.95	-8.15	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

20125628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-methyl-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one 6-[(5-methyl-2-thienyl)methylami…

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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)	2.34	4.24	-8.4	2	4	0	50	274.345	3	↓ MOL2 SDF SMILES Flexibase

20125631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-chloro-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one 6-[(5-chloro-2-thienyl)methylami…

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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)	2.92	4.03	-8.63	2	4	0	50	294.763	3	↓ MOL2 SDF SMILES Flexibase

20125639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(2-thienyl)propyl]ami…

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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)	3.18	4.47	-7.88	2	4	0	50	288.372	4	↓ MOL2 SDF SMILES Flexibase

20125640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(2-thienyl)propyl]ami…

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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)	3.18	4.46	-7.88	2	4	0	50	288.372	4	↓ MOL2 SDF SMILES Flexibase

36969249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[[(1S)-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1S)-1-(2-thie…

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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	5.16	-7.05	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

36969251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[[(1R)-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1R)-1-(2-thie…

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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	5.67	-7.12	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

36969253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-[[(1S)-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1S)-1-(2-thie…

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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	5.27	-6.81	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

36969256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-[[(1R)-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1R)-1-(2-thie…

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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	5.78	-6.93	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

36969265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[(5-methyl-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[(5-methyl-2-thi…

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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	4.92	-7.33	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-[(5-methyl-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[(5-methyl-2-thi…

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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	5.03	-7.06	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[(3-methyl-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[(3-methyl-2-thi…

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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	4.67	-7.12	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-6-[(3-methyl-2-thienyl)methylamino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[(3-methyl-2-thi…

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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	4.77	-6.93	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969396

Analogs

38002613
38002614
38002615
38002616

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[(5-bromo-2-thienyl)methylamino]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-[(5-bromo-2-thienyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	4.93	-7.32	2	4	0	50	353.241	3	↓ MOL2 SDF SMILES Flexibase

36969398

Analogs

38002613
38002614
38002615
38002616

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[(5-bromo-2-thienyl)methylamino]-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-[(5-bromo-2-thienyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	4.83	-7.53	2	4	0	50	353.241	3	↓ MOL2 SDF SMILES Flexibase

36969400

Analogs

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Popular Name: (2R)-6-[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-[[(1S)-1-(5-chloro-2-thie…

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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)	3.84	5.54	-7.26	2	4	0	50	322.817	3	↓ MOL2 SDF SMILES Flexibase

36969402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-[[(1S)-1-(5-chloro-2-thie…

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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)	3.84	5.44	-7.49	2	4	0	50	322.817	3	↓ MOL2 SDF SMILES Flexibase

36969404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[[(1R)-1-(5-chloro-2-thienyl)ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-[[(1R)-1-(5-chloro-2-thie…

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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)	3.84	5.54	-7.28	2	4	0	50	322.817	3	↓ MOL2 SDF SMILES Flexibase

36969406

Analogs

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Popular Name: (2S)-6-[[(1R)-1-(5-chloro-2-thienyl)ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-[[(1R)-1-(5-chloro-2-thie…

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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)	3.84	5.44	-7.47	2	4	0	50	322.817	3	↓ MOL2 SDF SMILES Flexibase

36969460

Analogs

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Popular Name: (2S)-2-methyl-6-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1R)-1-(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	5.64	-7.23	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

36969462

Analogs

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Popular Name: (2S)-2-methyl-6-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1S)-1-(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	5.64	-7.22	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

36969464

Analogs

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Popular Name: (2R)-2-methyl-6-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1R)-1-(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	5.75	-6.99	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

36969466

Analogs

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Popular Name: (2R)-2-methyl-6-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1S)-1-(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	5.75	-6.97	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

36969484

Analogs

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Popular Name: (2R)-2-methyl-6-[[(1S)-1-(2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1S)-1-(2-thie…

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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)	3.04	4.92	-6.88	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969486

Analogs

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Popular Name: (2S)-2-methyl-6-[[(1S)-1-(2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1S)-1-(2-thie…

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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)	3.04	4.82	-7.13	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969488

Analogs

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Popular Name: (2R)-2-methyl-6-[[(1R)-1-(2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1R)-1-(2-thie…

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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)	3.04	4.92	-6.95	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969490

Analogs

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Popular Name: (2S)-2-methyl-6-[[(1R)-1-(2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1R)-1-(2-thie…

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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)	3.04	4.82	-7.15	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

36969595

Analogs

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Popular Name: (2R)-6-[(4-bromo-2-thienyl)methylamino]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-[(4-bromo-2-thienyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	4.81	-7.22	2	4	0	50	353.241	3	↓ MOL2 SDF SMILES Flexibase

36969597

Analogs

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Popular Name: (2S)-6-[(4-bromo-2-thienyl)methylamino]-2-methyl-4H-1,4-benzoxazin-3-one (2S)-6-[(4-bromo-2-thienyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	4.71	-7.43	2	4	0	50	353.241	3	↓ MOL2 SDF SMILES Flexibase

70089923

Analogs

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Popular Name: 6-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(3-methyl-2-thienyl)e…

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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)	3.05	4.7	-7.5	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

70089924

Analogs

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Popular Name: 6-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(3-methyl-2-thienyl)e…

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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)	3.05	4.69	-7.52	2	4	0	50	288.372	3	↓ MOL2 SDF SMILES Flexibase

70090619

Analogs

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Popular Name: (2S)-2-methyl-6-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1R)-1-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	5.36	-7.22	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

70090620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-6-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2S)-2-methyl-6-[[(1S)-1-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	5.36	-7.21	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

70090621

Analogs

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Popular Name: (2R)-2-methyl-6-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1R)-1-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	5.47	-6.97	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

70090622

Analogs

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Popular Name: (2R)-2-methyl-6-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one (2R)-2-methyl-6-[[(1S)-1-(3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	5.47	-6.98	2	4	0	50	302.399	3	↓ MOL2 SDF SMILES Flexibase

41202804

Analogs

41202806
20125619
20125620

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(5-ethyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(5-ethyl-2-thienyl)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)	3.47	5.77	-7.44	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

41202806

Analogs

41202804
20125619
20125620

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Popular Name: 6-[[(1S)-1-(5-ethyl-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(5-ethyl-2-thienyl)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)	3.47	5.78	-7.32	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

48970208

Analogs

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Popular Name: 7-amino-6-[ethyl(2-thienylmethyl)amino]-4H-1,4-benzoxazin-3-one 7-amino-6-[ethyl(2-thienylmethyl…

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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)	2.15	4.94	-6.2	3	5	0	68	303.387	4	↓ MOL2 SDF SMILES Flexibase

48971542

Analogs

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Popular Name: 7-amino-6-[(5-chloro-2-thienyl)methyl-methyl-amino]-4H-1,4-benzoxazin-3-one 7-amino-6-[(5-chloro-2-thienyl)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	4.64	-6.49	3	5	0	68	323.805	3	↓ MOL2 SDF SMILES Flexibase

37220213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-2-methyl-1-(2-thienyl)p…

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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	5.62	-7.23	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

37220215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-2-methyl-1-(2-thienyl)p…

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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	5.39	-7.11	2	4	0	50	302.399	4	↓ MOL2 SDF SMILES Flexibase

37220264

Analogs

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Popular Name: 6-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1S)-1-(3-bromo-2-thienyl)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)	3.41	4.67	-7.31	2	4	0	50	353.241	3	↓ MOL2 SDF SMILES Flexibase

37220267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]-4H-1,4-benzoxazin-3-one 6-[[(1R)-1-(3-bromo-2-thienyl)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)	3.41	4.69	-7.37	2	4	0	50	353.241	3	↓ MOL2 SDF SMILES Flexibase

37281477

Analogs

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Popular Name: (2R)-6-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one (2R)-6-[[(1S)-1-(3-bromo-2-thien…

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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)	3.78	5.44	-6.79	2	4	0	50	367.268	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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