ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22737716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-morpholinophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide N-(4-morpholinophenyl)-2-[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)	2.99	7.95	-19.64	1	6	0	68	382.46	8	↓ MOL2 SDF SMILES Flexibase

22737719

Analogs

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Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide 2-(2-bromo-4-fluoro-phenoxy)-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	7.44	-16.39	1	7	0	69	497.361	9	↓ MOL2 SDF SMILES Flexibase

22739578

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	4.94	-25.69	2	8	0	89	399.447	8	↓ MOL2 SDF SMILES Flexibase

22740231

Analogs

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Popular Name: 2-(4-iodophenoxy)-N-(4-morpholinophenyl)acetamide 2-(4-iodophenoxy)-N-(4-morpholin…

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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)	3.83	6.93	-15.31	1	5	0	51	438.265	5	↓ MOL2 SDF SMILES Flexibase

62553509

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]acetamide 2-(4-chlorophenoxy)-N-[4-[(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)	3.79	8.22	-13.91	1	5	0	51	360.841	5	↓ MOL2 SDF SMILES Flexibase

62553510

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]acetamide 2-(4-chlorophenoxy)-N-[4-[(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)	3.79	8.22	-13.9	1	5	0	51	360.841	5	↓ MOL2 SDF SMILES Flexibase

23040129

Analogs

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Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide 2-(4-bromo-2-fluoro-phenoxy)-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	7.42	-17.4	1	7	0	69	497.361	9	↓ MOL2 SDF SMILES Flexibase

13409395

Analogs

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Popular Name: 2-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 2-[2-[(4-morpholinophenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	5.93	-75.86	1	7	-1	91	355.37	6	↓ MOL2 SDF SMILES Flexibase

13409861

Analogs

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Popular Name: 2-[2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethoxy]benzoic 2-[2-[(2,5-diethoxy-4-morpholino…

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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	6.82	-73.82	1	9	-1	109	443.476	10	↓ MOL2 SDF SMILES Flexibase

13410431

Analogs

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Popular Name: 2-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 2-[(1R)-1-methyl-2-[(4-morpholin…

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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	6.51	-76.53	1	7	-1	91	369.397	6	↓ MOL2 SDF SMILES Flexibase

13410435

Analogs

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Popular Name: 2-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 2-[(1S)-1-methyl-2-[(4-morpholin…

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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	6.53	-76.62	1	7	-1	91	369.397	6	↓ MOL2 SDF SMILES Flexibase

13411001

Analogs

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Popular Name: 2-[(1R)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]benzoic 2-[(1R)-2-[(2,5-diethoxy-4-morph…

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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	7.42	-73.55	1	9	-1	109	457.503	10	↓ MOL2 SDF SMILES Flexibase

13411005

Analogs

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Popular Name: 2-[(1S)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]benzoic 2-[(1S)-2-[(2,5-diethoxy-4-morph…

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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	7.39	-74.03	1	9	-1	109	457.503	10	↓ MOL2 SDF SMILES Flexibase

13412181

Analogs

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Popular Name: 4-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 4-[2-[(4-morpholinophenyl)amino]…

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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	5.44	-58.09	1	7	-1	91	355.37	6	↓ MOL2 SDF SMILES Flexibase

13412524

Analogs

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Popular Name: 4-[2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethoxy]benzoic 4-[2-[(2,5-diethoxy-4-morpholino…

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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)	3.38	6.33	-57.2	1	9	-1	109	443.476	10	↓ MOL2 SDF SMILES Flexibase

13413191

Analogs

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Popular Name: 4-[(1R)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]benzoic 4-[(1R)-2-[(2,5-diethoxy-4-morph…

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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	6.94	-56.35	1	9	-1	109	457.503	10	↓ MOL2 SDF SMILES Flexibase

13413194

Analogs

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Popular Name: 4-[(1S)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]benzoic 4-[(1S)-2-[(2,5-diethoxy-4-morph…

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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	7.03	-57.03	1	9	-1	109	457.503	10	↓ MOL2 SDF SMILES Flexibase

13418654

Analogs

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Popular Name: 4-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 4-[(1R)-1-methyl-2-[(4-morpholin…

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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)	3.02	6.03	-57.32	1	7	-1	91	369.397	6	↓ MOL2 SDF SMILES Flexibase

13418655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 4-[(1S)-1-methyl-2-[(4-morpholin…

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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)	3.02	6.06	-58.46	1	7	-1	91	369.397	6	↓ MOL2 SDF SMILES Flexibase

13418721

Analogs

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Popular Name: 3-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3-[2-[(4-morpholinophenyl)amino]…

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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)	2.63	5.43	-66	1	7	-1	91	355.37	6	↓ MOL2 SDF SMILES Flexibase

13418844

Analogs

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Popular Name: 3-[2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethoxy]benzoic 3-[2-[(2,5-diethoxy-4-morpholino…

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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)	3.35	6.31	-64.29	1	9	-1	109	443.476	10	↓ MOL2 SDF SMILES Flexibase

13418975

Analogs

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Popular Name: 3-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3-[(1R)-1-methyl-2-[(4-morpholin…

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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	6.01	-65.52	1	7	-1	91	369.397	6	↓ MOL2 SDF SMILES Flexibase

13418976

Analogs

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Popular Name: 3-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3-[(1S)-1-methyl-2-[(4-morpholin…

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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	6.03	-65.91	1	7	-1	91	369.397	6	↓ MOL2 SDF SMILES Flexibase

13419114

Analogs

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Popular Name: 3-[(1R)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]benzoic 3-[(1R)-2-[(2,5-diethoxy-4-morph…

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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)	3.72	6.91	-63.3	1	9	-1	109	457.503	10	↓ MOL2 SDF SMILES Flexibase

13419115

Analogs

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Popular Name: 3-[(1S)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]benzoic 3-[(1S)-2-[(2,5-diethoxy-4-morph…

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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)	3.72	6.98	-63.7	1	9	-1	109	457.503	10	↓ MOL2 SDF SMILES Flexibase

13419516

Analogs

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Popular Name: 3-methoxy-4-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[(4-morpholinophe…

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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	5.19	-59.31	1	8	-1	100	385.396	7	↓ MOL2 SDF SMILES Flexibase

13419761

Analogs

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Popular Name: 4-[2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(2,5-diethoxy-4-morpholino…

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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)	2.97	6.08	-58.29	1	10	-1	119	473.502	11	↓ MOL2 SDF SMILES Flexibase

13419965

Analogs

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Popular Name: 3-methoxy-4-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3-methoxy-4-[(1S)-1-methyl-2-[(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)	2.61	5.79	-59.1	1	8	-1	100	399.423	7	↓ MOL2 SDF SMILES Flexibase

13419966

Analogs

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Popular Name: 3-methoxy-4-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3-methoxy-4-[(1R)-1-methyl-2-[(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)	2.61	5.77	-58.6	1	8	-1	100	399.423	7	↓ MOL2 SDF SMILES Flexibase

13420135

Analogs

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Popular Name: 4-[(1R)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1R)-2-[(2,5-diethoxy-4-morph…

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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)	3.33	6.68	-57.34	1	10	-1	119	487.529	11	↓ MOL2 SDF SMILES Flexibase

13420136

Analogs

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Popular Name: 4-[(1S)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoic 4-[(1S)-2-[(2,5-diethoxy-4-morph…

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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)	3.33	6.73	-57.61	1	10	-1	119	487.529	11	↓ MOL2 SDF SMILES Flexibase

13420688

Analogs

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Popular Name: 2-[4-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(4-morpholinophenyl)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)	2.17	6.24	-56.16	1	7	-1	91	369.397	7	↓ MOL2 SDF SMILES Flexibase

13420914

Analogs

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Popular Name: 2-[4-[2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(2,5-diethoxy-4-morphol…

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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	7.12	-55.44	1	9	-1	109	457.503	11	↓ MOL2 SDF SMILES Flexibase

13421094

Analogs

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Popular Name: 2-[4-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1R)-1-methyl-2-[(4-morpho…

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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)	2.53	6.82	-56	1	7	-1	91	383.424	7	↓ MOL2 SDF SMILES Flexibase

13421095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1S)-1-methyl-2-[(4-morpho…

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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)	2.53	6.85	-56.94	1	7	-1	91	383.424	7	↓ MOL2 SDF SMILES Flexibase

13421253

Analogs

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Popular Name: 2-[4-[(1R)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1R)-2-[(2,5-diethoxy-4-mo…

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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	7.72	-55.4	1	9	-1	109	471.53	11	↓ MOL2 SDF SMILES Flexibase

13421254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1S)-2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-1-methyl-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1S)-2-[(2,5-diethoxy-4-mo…

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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	7.82	-55.54	1	9	-1	109	471.53	11	↓ MOL2 SDF SMILES Flexibase

13421756

Analogs

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Popular Name: 4-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(4-morpholinophenyl)amino]…

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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	5.56	-133.08	1	9	-2	131	398.371	7	↓ MOL2 SDF SMILES Flexibase

13422010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(2,5-diethoxy-4-morpholino…

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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	6.45	-131.34	1	11	-2	150	486.477	11	↓ MOL2 SDF SMILES Flexibase

13422231

Analogs

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Popular Name: 4-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1R)-1-methyl-2-[(4-morpholin…

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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)	2.94	6.14	-133.31	1	9	-2	131	412.398	7	↓ MOL2 SDF SMILES Flexibase

13422232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1S)-1-methyl-2-[(4-morpholin…

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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)	2.94	6.16	-134.06	1	9	-2	131	412.398	7	↓ MOL2 SDF SMILES Flexibase

13422946

Analogs

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Popular Name: 3,5-dichloro-4-[2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(4-morpholino…

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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)	3.87	6.64	-48.67	1	7	-1	91	424.26	6	↓ MOL2 SDF SMILES Flexibase

13423344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-4-[(1R)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[(1R)-1-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	7.12	-48.81	1	7	-1	91	438.287	6	↓ MOL2 SDF SMILES Flexibase

13423345

Analogs

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Popular Name: 3,5-dichloro-4-[(1S)-1-methyl-2-[(4-morpholinophenyl)amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[(1S)-1-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	7.15	-49.09	1	7	-1	91	438.287	6	↓ MOL2 SDF SMILES Flexibase

3402965

Analogs

38001364

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Popular Name: 2-(3,4-dichlorophenoxy)-N-(4-morpholinophenyl)acetamide 2-(3,4-dichlorophenoxy)-N-(4-mor…

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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)	4.03	-3.09	-12.56	1	5	0	50	381.259	5	↓ MOL2 SDF SMILES Flexibase

16578970

Analogs

16578972
4503724
4503731

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Popular Name: (2R)-2-(3,4-dimethylphenoxy)-N-(4-morpholinophenyl)propanamide (2R)-2-(3,4-dimethylphenoxy)-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	7.6	-13.67	1	5	0	51	354.45	5	↓ MOL2 SDF SMILES Flexibase

16578972

Analogs

16578970
4503724

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dimethylphenoxy)-N-(4-morpholinophenyl)propanamide (2S)-2-(3,4-dimethylphenoxy)-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	7.62	-13.96	1	5	0	51	354.45	5	↓ MOL2 SDF SMILES Flexibase

65522205

Analogs

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Popular Name: N-(3-fluoro-4-morpholino-phenyl)-2-(4-fluorophenoxy)acetamide N-(3-fluoro-4-morpholino-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	7.52	-17.53	1	5	0	51	348.349	5	↓ MOL2 SDF SMILES Flexibase

40869916

Analogs

5616403

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-morpholinophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide N-(4-morpholinophenyl)-2-(2,3,4,…

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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)	5.85	9.52	-10.32	1	5	0	51	484.594	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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