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ZINC Item

Suppliers, Protomers, & Similar Substances

12040087

Analogs

12040091

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(8-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(4-methylsulfanylphenyl)-prop 3-(8-methyl-9-oxo-7-oxa-10-azabi…

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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)	3.10	-0.65	-11.9	1	5	0	59	356.447	5	↓ MOL2 SDF SMILES Flexibase

12040091

Analogs

12040087

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(8-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(4-methylsulfanylphenyl)-prop 3-(8-methyl-9-oxo-7-oxa-10-azabi…

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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)	3.10	-0.7	-11.72	1	5	0	59	356.447	5	↓ MOL2 SDF SMILES Flexibase

13258656

Analogs

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Popular Name: 4-methyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 4-methyl-3-[3-(3-oxo-1,4-benzoxa…

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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)	2.59	6.82	-71.22	1	7	-1	99	353.354	5	↓ MOL2 SDF SMILES Flexibase

13258731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-methyl-3-[3-[(2S)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	7.5	-67.99	1	7	-1	99	367.381	5	↓ MOL2 SDF SMILES Flexibase

13258732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-methyl-3-[3-[(2R)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	7.66	-66.25	1	7	-1	99	367.381	5	↓ MOL2 SDF SMILES Flexibase

13259527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 3-[3-(3-oxo-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.97	-70.32	1	7	-1	99	339.327	5	↓ MOL2 SDF SMILES Flexibase

13259602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 3-[3-[(2S)-2-methyl-3-oxo-1,4-be…

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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)	2.56	6.65	-54.77	1	7	-1	99	353.354	5	↓ MOL2 SDF SMILES Flexibase

13259603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 3-[3-[(2R)-2-methyl-3-oxo-1,4-be…

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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)	2.56	6.81	-65.08	1	7	-1	99	353.354	5	↓ MOL2 SDF SMILES Flexibase

13259743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 4-[3-(3-oxo-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	5.98	-60.51	1	7	-1	99	339.327	5	↓ MOL2 SDF SMILES Flexibase

13259820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-[3-[(2S)-2-methyl-3-oxo-1,4-be…

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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	6.73	-59.58	1	7	-1	99	353.354	5	↓ MOL2 SDF SMILES Flexibase

13259821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-[3-[(2R)-2-methyl-3-oxo-1,4-be…

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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	6.83	-59.25	1	7	-1	99	353.354	5	↓ MOL2 SDF SMILES Flexibase

13260220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 5-chloro-2-[3-(3-oxo-1,4-benzoxa…

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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	6.78	-49.46	1	7	-1	99	373.772	5	↓ MOL2 SDF SMILES Flexibase

13260305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 5-chloro-2-[3-[(2S)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	7.46	-49.1	1	7	-1	99	387.799	5	↓ MOL2 SDF SMILES Flexibase

13260306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 5-chloro-2-[3-[(2R)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	7.66	-47	1	7	-1	99	387.799	5	↓ MOL2 SDF SMILES Flexibase

13260429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 5-bromo-2-[3-(3-oxo-1,4-benzoxaz…

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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	6.95	-46.87	1	7	-1	99	418.223	5	↓ MOL2 SDF SMILES Flexibase

13260495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 5-bromo-2-[3-[(2S)-2-methyl-3-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	7.63	-46.57	1	7	-1	99	432.25	5	↓ MOL2 SDF SMILES Flexibase

13260496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 5-bromo-2-[3-[(2R)-2-methyl-3-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	7.75	-49.58	1	7	-1	99	432.25	5	↓ MOL2 SDF SMILES Flexibase

13260969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 4,5-dimethoxy-2-[3-(3-oxo-1,4-be…

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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)	1.97	5.57	-49.73	1	9	-1	117	399.379	7	↓ MOL2 SDF SMILES Flexibase

13261049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4,5-dimethoxy-2-[3-[(2R)-2-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)	2.33	6.37	-52.66	1	9	-1	117	413.406	7	↓ MOL2 SDF SMILES Flexibase

13261050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4,5-dimethoxy-2-[3-[(2S)-2-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)	2.33	6.23	-49.93	1	9	-1	117	413.406	7	↓ MOL2 SDF SMILES Flexibase

13261185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 5-chloro-2-methoxy-4-[3-(3-oxo-1…

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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)	2.89	6.67	-59.79	1	8	-1	108	403.798	6	↓ MOL2 SDF SMILES Flexibase

13261262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 5-chloro-2-methoxy-4-[3-[(2R)-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)	3.25	7.51	-58.32	1	8	-1	108	417.825	6	↓ MOL2 SDF SMILES Flexibase

13261263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 5-chloro-2-methoxy-4-[3-[(2S)-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)	3.25	7.35	-58.94	1	8	-1	108	417.825	6	↓ MOL2 SDF SMILES Flexibase

13261408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 2-[3-(3-oxo-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	6.34	-51.08	1	7	-1	99	339.327	5	↓ MOL2 SDF SMILES Flexibase

13425807

Analogs

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Popular Name: 4-chloro-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 4-chloro-2-[3-(3-oxo-1,4-benzoxa…

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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	6.92	-49.65	1	7	-1	99	373.772	5	↓ MOL2 SDF SMILES Flexibase

13425880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-chloro-2-[3-[(2S)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	7.6	-49.54	1	7	-1	99	387.799	5	↓ MOL2 SDF SMILES Flexibase

13425881

Analogs

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Popular Name: 4-chloro-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-chloro-2-[3-[(2R)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	7.65	-48.48	1	7	-1	99	387.799	5	↓ MOL2 SDF SMILES Flexibase

13426050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 4-chloro-3-[3-(3-oxo-1,4-benzoxa…

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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)	2.82	6.61	-59.72	1	7	-1	99	373.772	5	↓ MOL2 SDF SMILES Flexibase

13426146

Analogs

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Popular Name: 4-chloro-3-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-chloro-3-[3-[(2S)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	7.36	-58.07	1	7	-1	99	387.799	5	↓ MOL2 SDF SMILES Flexibase

13426147

Analogs

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Popular Name: 4-chloro-3-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-chloro-3-[3-[(2R)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	7.46	-59.31	1	7	-1	99	387.799	5	↓ MOL2 SDF SMILES Flexibase

13428537

Analogs

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Popular Name: 4-fluoro-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoic 4-fluoro-2-[3-(3-oxo-1,4-benzoxa…

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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	6.48	-49.22	1	7	-1	99	357.317	5	↓ MOL2 SDF SMILES Flexibase

13428616

Analogs

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Popular Name: 4-fluoro-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-fluoro-2-[3-[(2S)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	7.15	-49.1	1	7	-1	99	371.344	5	↓ MOL2 SDF SMILES Flexibase

13428617

Analogs

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Popular Name: 4-fluoro-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]benzoic 4-fluoro-2-[3-[(2R)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	7.2	-47.99	1	7	-1	99	371.344	5	↓ MOL2 SDF SMILES Flexibase

14248249

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8060838

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Popular Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide N-[5-(diethylsulfamoyl)-2-hydrox…

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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)	2.08	3.32	-20.47	2	9	0	116	447.513	8	↓ MOL2 SDF SMILES Flexibase

14804697

Analogs

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Popular Name: N-(4-ethylsulfonylphenyl)-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide N-(4-ethylsulfonylphenyl)-3-[(2R…

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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)	1.91	5.54	-19.54	1	7	0	93	402.472	6	↓ MOL2 SDF SMILES Flexibase

14804699

Analogs

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Popular Name: N-(4-ethylsulfonylphenyl)-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide N-(4-ethylsulfonylphenyl)-3-[(2S…

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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)	1.91	5.44	-19.76	1	7	0	93	402.472	6	↓ MOL2 SDF SMILES Flexibase

55641536

Analogs

55641532

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Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide N-[4-[(1S)-1-methylpropoxy]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)	3.60	8.05	-14.03	1	6	0	68	368.433	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 27327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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