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ZINC Item

Suppliers, Protomers, & Similar Substances

5779237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl (2,2-dimethyl-3-oxo-4H-quinoxali…

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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	1.99	-18.09	1	9	0	121	409.398	6	↓ MOL2 SDF SMILES Flexibase

5779494

Analogs

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Popular Name: (2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl (2,2-dimethyl-3-oxo-4H-quinoxali…

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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)	2.93	1.76	-13.6	1	9	0	121	397.387	5	↓ MOL2 SDF SMILES Flexibase

5780886

Analogs

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Popular Name: (3-oxo-2,4-dihydroquinoxalin-1-yl)carbonylmethyl (3-oxo-2,4-dihydroquinoxalin-1-y…

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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	1.44	-15.07	1	6	0	75	342.326	5	↓ MOL2 SDF SMILES Flexibase

7150164

Analogs

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Popular Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one 4-[2-[(2,5-dimethylphenyl)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)	4.11	0.32	-12.69	1	4	0	49	368.502	4	↓ MOL2 SDF SMILES Flexibase

7150825

Analogs

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Popular Name: 4-[2-[(2-ethoxyphenyl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one 4-[2-[(2-ethoxyphenyl)methylsulf…

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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)	3.67	-0.14	-13.7	1	5	0	58	384.501	6	↓ MOL2 SDF SMILES Flexibase

61700781

Analogs

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Popular Name: 4-(3-amino-4-methyl-phenyl)-1,3-dihydroquinoxalin-2-one 4-(3-amino-4-methyl-phenyl)-1,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	4.94	-7.31	3	4	0	58	253.305	1	↓ MOL2 SDF SMILES Flexibase

9284347

Analogs

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Popular Name: (2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl (2,2-dimethyl-3-oxo-4H-quinoxali…

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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	-1.28	-15.11	1	8	0	101	442.522	6	↓ MOL2 SDF SMILES Flexibase

50660949

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-methyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,4-dihydroquinoxali N-[(3-fluorophenyl)methyl]-1-met…

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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)	2.25	8.09	-13.58	1	6	0	62	397.45	5	↓ MOL2 SDF SMILES Flexibase

50660953

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-methyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2,4-dihydroquinoxali N-[(3-fluorophenyl)methyl]-1-met…

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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)	2.25	8.26	-11.97	1	6	0	62	397.45	5	↓ MOL2 SDF SMILES Flexibase

35631530

Analogs

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Popular Name: 4-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[3-fluoro-2-[(1S)-1-hydroxyeth…

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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	4.91	-9.41	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

35631531

Analogs

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Popular Name: 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[3-fluoro-2-[(1R)-1-hydroxyeth…

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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	4.91	-9.74	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

35631532

Analogs

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Popular Name: 4-[4-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-[(1S)-1-hydroxyethyl]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)	2.66	4.47	-8.66	2	4	0	53	268.316	2	↓ MOL2 SDF SMILES Flexibase

35631533

Analogs

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Popular Name: 4-[4-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-[(1R)-1-hydroxyethyl]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)	2.66	4.44	-8.54	2	4	0	53	268.316	2	↓ MOL2 SDF SMILES Flexibase

35631534

Analogs

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Popular Name: 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-fluoro-2-[(1S)-1-hydroxyeth…

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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	4.57	-7.22	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

35631535

Analogs

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Popular Name: 4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-fluoro-2-[(1R)-1-hydroxyeth…

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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	4.57	-7.45	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

35631536

Analogs

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Popular Name: 4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-fluoro-4-[(1S)-1-hydroxyeth…

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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	4.61	-9.59	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

35631537

Analogs

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Popular Name: 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-fluoro-4-[(1R)-1-hydroxyeth…

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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	4.57	-9.86	2	4	0	53	286.306	2	↓ MOL2 SDF SMILES Flexibase

52037340

Analogs

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Popular Name: 3-oxo-N-propyl-2,4-dihydroquinoxaline-1-carboxamidine 3-oxo-N-propyl-2,4-dihydroquinox…

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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)	1.73	4.87	-34.22	4	5	1	70	233.295	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.73	4.94	-7.17	3	5	0	68	232.287	4	↓ MOL2 SDF SMILES Flexibase

52045342

Analogs

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Popular Name: 3-oxo-N-phenyl-2,4-dihydroquinoxaline-1-carboxamidine 3-oxo-N-phenyl-2,4-dihydroquinox…

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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)	2.55	6.99	-32.41	4	5	1	70	267.312	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	7.43	-9.08	3	5	0	71	266.304	2	↓ MOL2 SDF SMILES Flexibase

48631171

Analogs

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Popular Name: 4-(6-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one 4-(6-chloropyrimidin-4-yl)-1,3-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	5.22	-7.3	1	5	0	58	260.684	1	↓ MOL2 SDF SMILES Flexibase

52814212

Analogs

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Popular Name: 4-(2-chloro-6-methyl-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one 4-(2-chloro-6-methyl-pyrimidin-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)	2.73	5.21	-8.43	1	5	0	58	274.711	1	↓ MOL2 SDF SMILES Flexibase

52833366

Analogs

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Popular Name: N'-hydroxy-3-oxo-2,4-dihydroquinoxaline-1-carboxamidine N'-hydroxy-3-oxo-2,4-dihydroquin…

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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)	0.40	0.96	-9.09	4	6	0	91	206.205	1	↓ MOL2 SDF SMILES Flexibase

52835794

Analogs

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Popular Name: 4-(6-chloro-2-methyl-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one 4-(6-chloro-2-methyl-pyrimidin-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)	2.40	5.19	-7.32	1	5	0	58	274.711	1	↓ MOL2 SDF SMILES Flexibase

52840130

Analogs

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Popular Name: 4-(2-amino-4-nitro-phenyl)-1,3-dihydroquinoxalin-2-one 4-(2-amino-4-nitro-phenyl)-1,3-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	5.29	-8.73	3	7	0	104	284.275	2	↓ MOL2 SDF SMILES Flexibase

52856630

Analogs

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Popular Name: 4-[2-(aminomethyl)-4-chloro-phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-(aminomethyl)-4-chloro-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)	2.89	5.01	-40.51	4	4	1	60	288.758	2	↓ MOL2 SDF SMILES Flexibase

52857986

Analogs

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Popular Name: 5-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide 5-chloro-2-(3-oxo-2,4-dihydroqui…

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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	5.87	-12.1	3	4	0	58	317.801	2	↓ MOL2 SDF SMILES Flexibase

52859558

Analogs

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Popular Name: 5-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile 5-chloro-2-(3-oxo-2,4-dihydroqui…

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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)	3.46	7.42	-11.89	1	4	0	56	283.718	1	↓ MOL2 SDF SMILES Flexibase

52879515

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-2-phenyl-1,4-dihydroquinoxaline-6-carboxylic (2S)-2-methyl-3-oxo-2-phenyl-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)	2.70	5.8	-49.69	2	5	-1	81	281.291	2	↓ MOL2 SDF SMILES Flexibase

52879517

Analogs

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Popular Name: (2R)-2-methyl-3-oxo-2-phenyl-1,4-dihydroquinoxaline-6-carboxylic (2R)-2-methyl-3-oxo-2-phenyl-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)	2.70	5.82	-49.71	2	5	-1	81	281.291	2	↓ MOL2 SDF SMILES Flexibase

52904406

Analogs

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Popular Name: 2-chloro-6-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide 2-chloro-6-(3-oxo-2,4-dihydroqui…

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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)	3.48	6.16	-14	3	4	0	58	317.801	2	↓ MOL2 SDF SMILES Flexibase

52914132

Analogs

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Popular Name: 4-[(2S)-2-thiazol-2-ylsulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-[(2S)-2-thiazol-2-ylsulfanylpr…

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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)	3.23	6.05	-10.18	1	5	0	62	387.408	4	↓ MOL2 SDF SMILES Flexibase

52914133

Analogs

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Popular Name: 4-[(2R)-2-thiazol-2-ylsulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-[(2R)-2-thiazol-2-ylsulfanylpr…

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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)	3.23	6.07	-9.53	1	5	0	62	387.408	4	↓ MOL2 SDF SMILES Flexibase

52918231

Analogs

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Popular Name: 4-[2-(2-aminophenyl)ethyl]-1,3-dihydroquinoxalin-2-one 4-[2-(2-aminophenyl)ethyl]-1,3-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.45	-7.62	3	4	0	58	267.332	3	↓ MOL2 SDF SMILES Flexibase

52922324

Analogs

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Popular Name: 4-[2-(3-aminophenyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(3-aminophenyl)acetyl]-1,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	4.49	-12.38	3	5	0	75	281.315	2	↓ MOL2 SDF SMILES Flexibase

52948403

Analogs

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Popular Name: 3-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]thiazolidin-2-one 3-[3-oxo-3-(3-oxo-2,4-dihydroqui…

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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)	0.60	4.32	-19.22	1	6	0	70	305.359	3	↓ MOL2 SDF SMILES Flexibase

52948537

Analogs

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Popular Name: 4-[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3R)-1-(5-chloro-2-methoxy-ph…

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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)	2.47	6.9	-16.82	1	7	0	79	399.834	3	↓ MOL2 SDF SMILES Flexibase

52948539

Analogs

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Popular Name: 4-[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3S)-1-(5-chloro-2-methoxy-ph…

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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)	2.47	6.88	-20.78	1	7	0	79	399.834	3	↓ MOL2 SDF SMILES Flexibase

53298550

Analogs

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Popular Name: 4-(3-oxo-3-piperazin-1-yl-propyl)-1,3-dihydroquinoxalin-2-one 4-(3-oxo-3-piperazin-1-yl-propyl…

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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)	0.32	3.51	-54.71	3	6	1	69	289.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	2.22	-11.58	2	6	0	65	288.351	3	↓ MOL2 SDF SMILES Flexibase

17981074

Analogs

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Popular Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] [2-(2,2-dimethyl-3-oxo-4H-quinox…

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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	9.77	-14.16	1	7	0	89	455.923	5	↓ MOL2 SDF SMILES Flexibase

53345822

Analogs

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Popular Name: N-cycloheptyl-N,1-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide N-cycloheptyl-N,1-dimethyl-3-oxo…

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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	6.56	-13.23	1	5	0	53	315.417	2	↓ MOL2 SDF SMILES Flexibase

53356092

Analogs

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Popular Name: 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]butanamide 4-oxo-4-(3-oxo-2,4-dihydroquinox…

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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)	-0.58	7.64	-17.33	2	10	0	122	405.418	6	↓ MOL2 SDF SMILES Flexibase

53368573

Analogs

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Popular Name: 4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3-dihydroquinoxalin-2-one 4-(1-methyl-6-oxo-4,5-dihydropyr…

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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)	0.38	3.3	-10.88	1	7	0	82	286.291	1	↓ MOL2 SDF SMILES Flexibase

53397215

Analogs

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Popular Name: N-[[2-(2-methylimidazol-1-yl)-4-pyridyl]methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide N-[[2-(2-methylimidazol-1-yl)-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)	-0.01	7.95	-18.76	2	9	0	109	418.457	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.01	8.42	-39.81	3	9	1	110	419.465	6	↓ MOL2 SDF SMILES Flexibase

19994636

Analogs

42802534

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Popular Name: 2-chloro-6-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic 2-chloro-6-(3-oxo-2,4-dihydroqui…

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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	6.6	-56.48	1	5	-1	72	301.709	2	↓ MOL2 SDF SMILES Flexibase

11984496

Analogs

11984500

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Popular Name: 1-[[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]carbonyl]ethyl 1-[[3-oxo-6-(trifluoromethyl)-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)	3.39	3.1	-13.7	1	8	0	94	470.835	6	↓ MOL2 SDF SMILES Flexibase

11984500

Analogs

11984496

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]carbonyl]ethyl 1-[[3-oxo-6-(trifluoromethyl)-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)	3.39	3.16	-12.79	1	8	0	94	470.835	6	↓ MOL2 SDF SMILES Flexibase

11984502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]carbonylmethyl [3-oxo-6-(trifluoromethyl)-2,4-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)	3.03	2.89	-13.94	1	8	0	94	456.808	6	↓ MOL2 SDF SMILES Flexibase

53476491

Analogs

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Popular Name: N-[(1S)-indan-1-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide N-[(1S)-indan-1-yl]-4-oxo-4-(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)	1.54	7.05	-13.63	2	6	0	79	363.417	4	↓ MOL2 SDF SMILES Flexibase

53476493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-indan-1-yl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide N-[(1R)-indan-1-yl]-4-oxo-4-(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)	1.54	6.98	-13.84	2	6	0	79	363.417	4	↓ MOL2 SDF SMILES Flexibase

53503827

Analogs

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Popular Name: 1-methyl-3-oxo-N-[(3-phenylisoxazol-5-yl)methyl]-2,4-dihydroquinoxaline-6-carboxamide 1-methyl-3-oxo-N-[(3-phenylisoxa…

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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)	2.36	5.68	-15.88	2	7	0	87	362.389	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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