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ZINC Item

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54414551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4-nitro-phenyl)-thiomorpholino-methanone (3-amino-4-nitro-phenyl)-thiomor…

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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)	0.66	4.91	-9.57	2	6	0	92	267.31	2	↓ MOL2 SDF SMILES Flexibase

54414552

Analogs

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Popular Name: [3-(methylamino)-4-nitro-phenyl]-thiomorpholino-methanone [3-(methylamino)-4-nitro-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)	1.03	5.81	-9.15	1	6	0	78	281.337	3	↓ MOL2 SDF SMILES Flexibase

54414553

Analogs

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Popular Name: [3-(ethylamino)-4-nitro-phenyl]-thiomorpholino-methanone [3-(ethylamino)-4-nitro-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)	1.41	6.63	-8.87	1	6	0	78	295.364	4	↓ MOL2 SDF SMILES Flexibase

54414554

Analogs

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Popular Name: [4-nitro-3-(propylamino)phenyl]-thiomorpholino-methanone [4-nitro-3-(propylamino)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)	1.91	7.39	-8.58	1	6	0	78	309.391	5	↓ MOL2 SDF SMILES Flexibase

54415745

Analogs

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Popular Name: (3-hydrazino-4-nitro-phenyl)-thiomorpholino-methanone (3-hydrazino-4-nitro-phenyl)-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.42	4.63	-9.93	3	7	0	104	282.325	3	↓ MOL2 SDF SMILES Flexibase

54416118

Analogs

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Popular Name: (3-fluoro-4-nitro-phenyl)-thiomorpholino-methanone (3-fluoro-4-nitro-phenyl)-thiomo…

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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)	1.34	6.92	-11.44	0	5	0	66	270.285	2	↓ MOL2 SDF SMILES Flexibase

58343757

Analogs

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Popular Name: N,N-dimethyl-2-[2-methyl-4-(thiomorpholine-4-carbonyl)anilino]acetamide N,N-dimethyl-2-[2-methyl-4-(thio…

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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)	0.43	6.13	-14.49	1	5	0	53	321.446	4	↓ MOL2 SDF SMILES Flexibase

60320288

Analogs

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Popular Name: N-ethyl-N-(2-methylallyl)-2-[2-methyl-3-(thiomorpholine-4-carbonyl)anilino]acetamide N-ethyl-N-(2-methylallyl)-2-[2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	9.27	-14.24	1	5	0	53	375.538	7	↓ MOL2 SDF SMILES Flexibase

62819382

Analogs

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Popular Name: [2-(isopropylamino)phenyl]-thiomorpholino-methanone [2-(isopropylamino)phenyl]-thiom…

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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)	2.44	6.63	-6.77	1	3	0	32	264.394	3	↓ MOL2 SDF SMILES Flexibase

62822667

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)	1.09	6.95	-10.91	2	5	0	73	312.366	4	↓ MOL2 SDF SMILES Flexibase

62822668

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)	1.09	7	-10.54	2	5	0	73	312.366	4	↓ MOL2 SDF SMILES Flexibase

63005010

Analogs

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Popular Name: [4-(ethylamino)-3,5-difluoro-phenyl]-thiomorpholino-methanone [4-(ethylamino)-3,5-difluoro-phe…

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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)	1.71	5.84	-6.35	1	3	0	32	286.347	3	↓ MOL2 SDF SMILES Flexibase

63005011

Analogs

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Popular Name: [3,5-difluoro-4-(propylamino)phenyl]-thiomorpholino-methanone [3,5-difluoro-4-(propylamino)phe…

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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)	2.21	6.61	-6.2	1	3	0	32	300.374	4	↓ MOL2 SDF SMILES Flexibase

63005012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-3,5-difluoro-phenyl)-thiomorpholino-methanone (4-amino-3,5-difluoro-phenyl)-th…

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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)	0.96	4.23	-6.73	2	3	0	46	258.293	1	↓ MOL2 SDF SMILES Flexibase

63005013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-difluoro-4-(methylamino)phenyl]-thiomorpholino-methanone [3,5-difluoro-4-(methylamino)phe…

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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)	1.33	5.04	-6.69	1	3	0	32	272.32	2	↓ MOL2 SDF SMILES Flexibase

63007874

Analogs

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Popular Name: (3,5-difluoro-4-hydrazino-phenyl)-thiomorpholino-methanone (3,5-difluoro-4-hydrazino-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)	0.72	4.05	-7.44	3	4	0	58	273.308	2	↓ MOL2 SDF SMILES Flexibase

63010485

Analogs

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Popular Name: thiomorpholino-(3,4,5-trifluorophenyl)methanone thiomorpholino-(3,4,5-trifluorop…

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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)	1.64	6.35	-6.66	0	2	0	20	261.268	1	↓ MOL2 SDF SMILES Flexibase

69562344

Analogs

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Popular Name: 3,3,3-trifluoro-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]propanamide 3,3,3-trifluoro-N-[2-methyl-4-(t…

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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)	2.04	7.14	-15.68	1	4	0	49	346.374	4	↓ MOL2 SDF SMILES Flexibase

69697154

Analogs

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Popular Name: methyl 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)	1.39	6.67	-9.81	1	5	0	59	308.403	5	↓ MOL2 SDF SMILES Flexibase

69737263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-2-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]acetamide N-carbamoyl-2-[2-methyl-5-(thiom…

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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)	0.41	3.01	-20.88	4	7	0	105	336.417	4	↓ MOL2 SDF SMILES Flexibase

69741692

Analogs

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Popular Name: 1-[(1S)-1,2-dimethylpropyl]-3-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]urea 1-[(1S)-1,2-dimethylpropyl]-3-[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)	2.63	7.73	-11.83	2	5	0	61	349.5	4	↓ MOL2 SDF SMILES Flexibase

69741694

Analogs

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Popular Name: 1-[(1R)-1,2-dimethylpropyl]-3-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]urea 1-[(1R)-1,2-dimethylpropyl]-3-[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)	2.63	7.42	-11.67	2	5	0	61	349.5	4	↓ MOL2 SDF SMILES Flexibase

65592708

Analogs

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Popular Name: N'-isopropyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]oxamide N'-isopropyl-N-[2-methyl-4-(thio…

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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)	0.62	5.22	-9.63	2	6	0	79	349.456	4	↓ MOL2 SDF SMILES Flexibase

69760550

Analogs

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Popular Name: (4-aminophenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-aminophenyl)-[(3R)-3-methylth…

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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)	0.70	4.7	-8.04	2	3	0	46	236.34	1	↓ MOL2 SDF SMILES Flexibase

69760551

Analogs

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Popular Name: (4-aminophenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-aminophenyl)-[(3S)-3-methylth…

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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)	0.70	4.62	-7.88	2	3	0	46	236.34	1	↓ MOL2 SDF SMILES Flexibase

69760554

Analogs

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Popular Name: (3-aminophenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (3-aminophenyl)-[(3R)-3-methylth…

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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)	0.67	4.7	-7.75	2	3	0	46	236.34	1	↓ MOL2 SDF SMILES Flexibase

69760555

Analogs

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Popular Name: (3-aminophenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (3-aminophenyl)-[(3S)-3-methylth…

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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)	0.67	4.62	-7.58	2	3	0	46	236.34	1	↓ MOL2 SDF SMILES Flexibase

69761510

Analogs

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Popular Name: (2-fluorophenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-fluorophenyl)-[(3R)-3-methylt…

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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)	1.74	6.88	-11.04	0	2	0	20	239.315	1	↓ MOL2 SDF SMILES Flexibase

69761511

Analogs

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Popular Name: (2-fluorophenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-fluorophenyl)-[(3S)-3-methylt…

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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)	1.74	6.82	-10.31	0	2	0	20	239.315	1	↓ MOL2 SDF SMILES Flexibase

69761522

Analogs

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Popular Name: (4-fluorophenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-fluorophenyl)-[(3R)-3-methylt…

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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)	1.78	6.9	-6.6	0	2	0	20	239.315	1	↓ MOL2 SDF SMILES Flexibase

69761523

Analogs

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Popular Name: (4-fluorophenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-fluorophenyl)-[(3S)-3-methylt…

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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)	1.78	6.82	-6.29	0	2	0	20	239.315	1	↓ MOL2 SDF SMILES Flexibase

69762331

Analogs

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Popular Name: (4-hydroxyphenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-hydroxyphenyl)-[(3R)-3-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)	1.14	3.99	-8	1	3	0	41	237.324	1	↓ MOL2 SDF SMILES Flexibase

69762333

Analogs

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Popular Name: (4-hydroxyphenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-hydroxyphenyl)-[(3S)-3-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)	1.14	3.92	-7.72	1	3	0	41	237.324	1	↓ MOL2 SDF SMILES Flexibase

69762335

Analogs

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Popular Name: (3-hydroxyphenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (3-hydroxyphenyl)-[(3R)-3-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)	1.12	3.98	-9.23	1	3	0	41	237.324	1	↓ MOL2 SDF SMILES Flexibase

69762337

Analogs

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Popular Name: (3-hydroxyphenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (3-hydroxyphenyl)-[(3S)-3-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)	1.12	3.9	-8.99	1	3	0	41	237.324	1	↓ MOL2 SDF SMILES Flexibase

69762338

Analogs

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Popular Name: (2-hydroxyphenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-hydroxyphenyl)-[(3R)-3-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)	2.11	4.95	-9.75	1	3	0	41	237.324	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	5.91	-52.42	0	3	-1	43	236.316	1	↓ MOL2 SDF SMILES Flexibase

69762340

Analogs

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Popular Name: (2-hydroxyphenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-hydroxyphenyl)-[(3S)-3-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)	2.11	4.85	-9.48	1	3	0	41	237.324	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	5.8	-51.37	0	3	-1	43	236.316	1	↓ MOL2 SDF SMILES Flexibase

69763009

Analogs

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Popular Name: (5-chloro-2-hydrazino-phenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (5-chloro-2-hydrazino-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)	1.47	5.1	-5.72	3	4	0	58	285.8	2	↓ MOL2 SDF SMILES Flexibase

69763012

Analogs

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Popular Name: (5-chloro-2-hydrazino-phenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (5-chloro-2-hydrazino-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)	1.47	5.11	-4.87	3	4	0	58	285.8	2	↓ MOL2 SDF SMILES Flexibase

69763015

Analogs

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Popular Name: (3-fluoro-2-hydrazino-phenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (3-fluoro-2-hydrazino-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)	0.93	4.67	-8.23	3	4	0	58	269.345	2	↓ MOL2 SDF SMILES Flexibase

69763017

Analogs

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Popular Name: (3-fluoro-2-hydrazino-phenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (3-fluoro-2-hydrazino-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)	0.93	4.74	-6.83	3	4	0	58	269.345	2	↓ MOL2 SDF SMILES Flexibase

69763024

Analogs

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Popular Name: (4-hydrazinophenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-hydrazinophenyl)-[(3R)-3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	4.51	-8.96	3	4	0	58	251.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.86	4.34	-55.59	4	4	1	60	252.363	2	↓ MOL2 SDF SMILES Flexibase

69763026

Analogs

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Popular Name: (4-hydrazinophenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-hydrazinophenyl)-[(3S)-3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	4.44	-8.77	3	4	0	58	251.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.86	4.26	-55.48	4	4	1	60	252.363	2	↓ MOL2 SDF SMILES Flexibase

69763043

Analogs

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Popular Name: (2-hydrazino-5-methyl-phenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-hydrazino-5-methyl-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)	1.24	5.26	-5.65	3	4	0	58	265.382	2	↓ MOL2 SDF SMILES Flexibase

69763046

Analogs

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Popular Name: (2-hydrazino-5-methyl-phenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-hydrazino-5-methyl-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)	1.24	5.25	-6.53	3	4	0	58	265.382	2	↓ MOL2 SDF SMILES Flexibase

69763048

Analogs

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Popular Name: (4-hydrazino-3-methyl-phenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-hydrazino-3-methyl-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)	1.24	5.18	-7.71	3	4	0	58	265.382	2	↓ MOL2 SDF SMILES Flexibase

69763050

Analogs

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Popular Name: (4-hydrazino-3-methyl-phenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-hydrazino-3-methyl-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)	1.24	5.19	-8.32	3	4	0	58	265.382	2	↓ MOL2 SDF SMILES Flexibase

69763057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-hydrazinophenyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-hydrazinophenyl)-[(3R)-3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.82	4.59	-6.72	3	4	0	58	251.355	2	↓ MOL2 SDF SMILES Flexibase

69763060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-hydrazinophenyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-hydrazinophenyl)-[(3S)-3-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.82	4.59	-5.92	3	4	0	58	251.355	2	↓ MOL2 SDF SMILES Flexibase

69777087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-3-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]urea 1-allyl-3-[2-methyl-3-(thiomorph…

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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)	1.80	5.96	-10.5	2	5	0	61	319.43	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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Embed Link to Results

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