ZINC 12

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)	4.80	8.63	-20.02	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.77	8.46	-58.47	2	5	1	63	373.86	5	↓ MOL2 SDF SMILES Flexibase

54670597

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.80	8.5	-16.8	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.77	8.36	-59.28	2	5	1	63	373.86	5	↓ MOL2 SDF SMILES Flexibase

54670598

Analogs

12652917
12652921

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3,5-dimethylphenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.57	8.86	-18.36	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

54670599

Analogs

12652917
12652921

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3,5-dimethylphenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.57	9.01	-14.85	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

54670788

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide 2-[(3S)-4-benzyl-2-oxo-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)	5.25	8.97	-13.92	1	5	0	59	426.822	6	↓ MOL2 SDF SMILES Flexibase

54670789

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide 2-[(3R)-4-benzyl-2-oxo-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)	5.25	8.84	-16.87	1	5	0	59	426.822	6	↓ MOL2 SDF SMILES Flexibase

54671001

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(4-nitrophenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	3.71	8.27	-17.77	1	8	0	104	369.377	6	↓ MOL2 SDF SMILES Flexibase

54671004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(4-nitrophenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	3.71	8.13	-22.07	1	8	0	104	369.377	6	↓ MOL2 SDF SMILES Flexibase

54671005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(o-tolyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.15	8.41	-18.4	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

54671007

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(o-tolyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.15	8.52	-15.11	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

54672201

Analogs

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Popular Name: butyl butyl

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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)	5.36	10.81	-16.59	1	7	0	85	424.497	10	↓ MOL2 SDF SMILES Flexibase

54672202

Analogs

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Popular Name: butyl butyl

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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)	5.36	10.84	-16.57	1	7	0	85	424.497	10	↓ MOL2 SDF SMILES Flexibase

54672203

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.69	7.35	-15.97	1	6	0	68	408.376	7	↓ MOL2 SDF SMILES Flexibase

54672204

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.69	7.46	-15.89	1	6	0	68	408.376	7	↓ MOL2 SDF SMILES Flexibase

54672207

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-chlorophenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.38	8.2	-12.97	1	5	0	59	358.825	5	↓ MOL2 SDF SMILES Flexibase

54672208

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-chlorophenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.38	8.07	-15.28	1	5	0	59	358.825	5	↓ MOL2 SDF SMILES Flexibase

54672209

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-fluorophenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	3.86	7.67	-13.62	1	5	0	59	342.37	5	↓ MOL2 SDF SMILES Flexibase

54672210

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-fluorophenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	3.86	7.57	-15.69	1	5	0	59	342.37	5	↓ MOL2 SDF SMILES Flexibase

54672211

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-methoxyphenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	3.76	7.08	-14.72	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

54672212

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-methoxyphenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	3.76	7.07	-14.68	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

54672213

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.60	8.83	-12.03	1	5	0	59	392.377	6	↓ MOL2 SDF SMILES Flexibase

54672214

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.60	8.71	-14.81	1	5	0	59	392.377	6	↓ MOL2 SDF SMILES Flexibase

54672215

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-nitrophenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	3.66	8.64	-15.59	1	8	0	104	369.377	6	↓ MOL2 SDF SMILES Flexibase

54672216

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2-nitrophenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	3.66	8.49	-16.99	1	8	0	104	369.377	6	↓ MOL2 SDF SMILES Flexibase

54672217

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	5.03	8.34	-19.94	1	5	0	59	393.27	5	↓ MOL2 SDF SMILES Flexibase

54672218

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	5.03	8.39	-19.76	1	5	0	59	393.27	5	↓ MOL2 SDF SMILES Flexibase

54672219

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3-chloro-4-fluoro-phenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.52	7.93	-20.71	1	5	0	59	376.815	5	↓ MOL2 SDF SMILES Flexibase

54672220

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(3-chloro-4-fluoro-phenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.52	7.98	-20.56	1	5	0	59	376.815	5	↓ MOL2 SDF SMILES Flexibase

54672221

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(4-methyl-3-nitro-phenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.08	8.8	-19.06	1	8	0	104	383.404	6	↓ MOL2 SDF SMILES Flexibase

54672222

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(4-methyl-3-nitro-phenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.08	8.66	-18.66	1	8	0	104	383.404	6	↓ MOL2 SDF SMILES Flexibase

54672223

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2,5-dimethylphenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.57	9.22	-15.57	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

54672224

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(2,5-dimethylphenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.57	9.17	-14.83	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

54672225

Analogs

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Popular Name: 2-[(3R)-4-benzyl-2-oxo-morpholin-3-yl]-N-(5-chloro-2-methyl-phenyl)acetamide 2-[(3R)-4-benzyl-2-oxo-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)	4.80	9.03	-15.71	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

54672226

Analogs

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Popular Name: 2-[(3S)-4-benzyl-2-oxo-morpholin-3-yl]-N-(5-chloro-2-methyl-phenyl)acetamide 2-[(3S)-4-benzyl-2-oxo-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)	4.80	9.04	-16.42	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 137798
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 137798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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