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ZINC Item

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69140126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-methyl-benzamide 3-amino-N-[(3R)-1,1-dioxothian-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)	0.78	0.99	-18.79	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-methyl-benzamide 3-amino-N-[(3S)-1,1-dioxothian-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)	0.78	0.99	-18.8	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-fluoro-benzamide 3-amino-N-[(3R)-1,1-dioxothian-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)	0.50	0.32	-18.45	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-fluoro-benzamide 3-amino-N-[(3S)-1,1-dioxothian-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)	0.50	0.32	-18.48	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-fluoro-benzamide 4-amino-N-[(3R)-1,1-dioxothian-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)	0.50	0.33	-17.42	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-fluoro-benzamide 4-amino-N-[(3S)-1,1-dioxothian-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)	0.50	0.34	-17.43	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2,4-difluoro-benzamide 5-amino-N-[(3R)-1,1-dioxothian-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)	0.59	0.39	-21.57	3	5	0	89	304.318	2	↓ MOL2 SDF SMILES Flexibase

69140153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2,4-difluoro-benzamide 5-amino-N-[(3S)-1,1-dioxothian-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)	0.59	0.39	-21.54	3	5	0	89	304.318	2	↓ MOL2 SDF SMILES Flexibase

69140156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-methoxy-benzamide 3-amino-N-[(3R)-1,1-dioxothian-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)	0.39	-0.34	-19.48	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

69140158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-methoxy-benzamide 3-amino-N-[(3S)-1,1-dioxothian-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)	0.39	-0.34	-19.48	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

69140160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-6-methyl-benzamide 2-amino-N-[(3R)-1,1-dioxothian-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)	0.76	0.62	-17.1	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-6-methyl-benzamide 2-amino-N-[(3S)-1,1-dioxothian-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)	0.76	0.63	-17.56	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(3R)-1,1-dioxothian-3-yl]benzamide 2-amino-5-chloro-N-[(3R)-1,1-dio…

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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)	1.01	1.07	-15.25	3	5	0	89	302.783	2	↓ MOL2 SDF SMILES Flexibase

69140165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(3S)-1,1-dioxothian-3-yl]benzamide 2-amino-5-chloro-N-[(3S)-1,1-dio…

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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)	1.01	1.07	-15.28	3	5	0	89	302.783	2	↓ MOL2 SDF SMILES Flexibase

69140167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-fluoro-benzamide 5-amino-N-[(3R)-1,1-dioxothian-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)	0.09	0.31	-22.44	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-fluoro-benzamide 5-amino-N-[(3S)-1,1-dioxothian-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)	0.09	0.31	-22.41	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dichloro-N-[(3R)-1,1-dioxothian-3-yl]benzamide 3-amino-4,5-dichloro-N-[(3R)-1,1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	1.28	-16.6	3	5	0	89	337.228	2	↓ MOL2 SDF SMILES Flexibase

69140180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dichloro-N-[(3S)-1,1-dioxothian-3-yl]benzamide 3-amino-4,5-dichloro-N-[(3S)-1,1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	1.27	-16.58	3	5	0	89	337.228	2	↓ MOL2 SDF SMILES Flexibase

69140182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-methoxy-benzamide 5-amino-N-[(3R)-1,1-dioxothian-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)	0.53	0.77	-21.44	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

69140184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-methoxy-benzamide 5-amino-N-[(3S)-1,1-dioxothian-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)	0.53	0.76	-21.38	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

69140186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-(dimethylamino)-N-[(3R)-1,1-dioxothian-3-yl]benzamide 3-amino-4-(dimethylamino)-N-[(3R…

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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	1.55	-17.81	3	6	0	93	311.407	3	↓ MOL2 SDF SMILES Flexibase

69140188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-(dimethylamino)-N-[(3S)-1,1-dioxothian-3-yl]benzamide 3-amino-4-(dimethylamino)-N-[(3S…

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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	1.55	-17.83	3	6	0	93	311.407	3	↓ MOL2 SDF SMILES Flexibase

69140193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-2-fluoro-benzamide 4-amino-N-[(3R)-1,1-dioxothian-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)	0.09	0.3	-23.07	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-2-fluoro-benzamide 4-amino-N-[(3S)-1,1-dioxothian-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)	0.09	0.3	-23.08	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-benzamide 2-amino-N-[(3R)-1,1-dioxothian-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)	0.50	0.62	-15.72	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-benzamide 2-amino-N-[(3S)-1,1-dioxothian-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)	0.50	0.62	-15.71	3	5	0	89	286.328	2	↓ MOL2 SDF SMILES Flexibase

69140207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothian-3-yl]-4-ethoxy-benzamide 3-amino-N-[(3R)-1,1-dioxothian-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)	0.76	0.58	-19.16	3	6	0	98	312.391	4	↓ MOL2 SDF SMILES Flexibase

69140210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothian-3-yl]-4-ethoxy-benzamide 3-amino-N-[(3S)-1,1-dioxothian-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)	0.76	0.58	-19.19	3	6	0	98	312.391	4	↓ MOL2 SDF SMILES Flexibase

69140224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(3R)-1,1-dioxothian-3-yl]benzamide 2,4-diamino-N-[(3R)-1,1-dioxothi…

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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)	-0.59	-1.57	-17.61	5	6	0	115	283.353	2	↓ MOL2 SDF SMILES Flexibase

69140226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(3S)-1,1-dioxothian-3-yl]benzamide 2,4-diamino-N-[(3S)-1,1-dioxothi…

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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)	-0.59	-1.57	-17.45	5	6	0	115	283.353	2	↓ MOL2 SDF SMILES Flexibase

69140234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]benzamide 4-amino-N-[(3R)-1,1-dioxothian-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)	0.00	0.24	-19.15	3	5	0	89	268.338	2	↓ MOL2 SDF SMILES Flexibase

69140236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]benzamide 4-amino-N-[(3S)-1,1-dioxothian-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)	0.00	0.24	-19.13	3	5	0	89	268.338	2	↓ MOL2 SDF SMILES Flexibase

69140271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(dimethylamino)-N-[(3R)-1,1-dioxothian-3-yl]benzamide 5-amino-2-(dimethylamino)-N-[(3R…

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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)	0.03	1.84	-17.98	3	6	0	93	311.407	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.03	1.65	-39.21	4	6	1	94	312.415	3	↓ MOL2 SDF SMILES Flexibase

69140272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(dimethylamino)-N-[(3S)-1,1-dioxothian-3-yl]benzamide 5-amino-2-(dimethylamino)-N-[(3S…

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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)	0.03	1.84	-17.96	3	6	0	93	311.407	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.03	1.61	-39.26	4	6	1	94	312.415	3	↓ MOL2 SDF SMILES Flexibase

69140274

Analogs

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Popular Name: 5-amino-2-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide 5-amino-2-bromo-N-[(3R)-1,1-diox…

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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)	0.73	0.86	-19.43	3	5	0	89	347.234	2	↓ MOL2 SDF SMILES Flexibase

69140276

Analogs

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Popular Name: 5-amino-2-bromo-N-[(3S)-1,1-dioxothian-3-yl]benzamide 5-amino-2-bromo-N-[(3S)-1,1-diox…

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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)	0.73	0.86	-19.44	3	5	0	89	347.234	2	↓ MOL2 SDF SMILES Flexibase

69140289

Analogs

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Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-4,5-difluoro-benzamide 2-amino-N-[(3R)-1,1-dioxothian-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)	0.59	0.68	-16.34	3	5	0	89	304.318	2	↓ MOL2 SDF SMILES Flexibase

69140291

Analogs

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Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-4,5-difluoro-benzamide 2-amino-N-[(3S)-1,1-dioxothian-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)	0.59	0.68	-16.35	3	5	0	89	304.318	2	↓ MOL2 SDF SMILES Flexibase

69140295

Analogs

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Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-methyl-benzamide 2-amino-N-[(3R)-1,1-dioxothian-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)	0.76	1.33	-16.58	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140298

Analogs

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Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-benzamide 2-amino-N-[(3S)-1,1-dioxothian-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)	0.76	1.33	-16.49	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140301

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-3-methyl-benzamide 4-amino-N-[(3R)-1,1-dioxothian-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)	0.78	1.01	-19.35	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140303

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-benzamide 4-amino-N-[(3S)-1,1-dioxothian-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)	0.78	1	-19.35	3	5	0	89	282.365	2	↓ MOL2 SDF SMILES Flexibase

69140305

Analogs

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Popular Name: 2-amino-4-chloro-N-[(3R)-1,1-dioxothian-3-yl]benzamide 2-amino-4-chloro-N-[(3R)-1,1-dio…

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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)	1.01	1.08	-16.27	3	5	0	89	302.783	2	↓ MOL2 SDF SMILES Flexibase

69140307

Analogs

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Popular Name: 2-amino-4-chloro-N-[(3S)-1,1-dioxothian-3-yl]benzamide 2-amino-4-chloro-N-[(3S)-1,1-dio…

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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)	1.01	1.08	-16.22	3	5	0	89	302.783	2	↓ MOL2 SDF SMILES Flexibase

69140322

Analogs

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Popular Name: 5-amino-2-bromo-N-[(3R)-1,1-dioxothian-3-yl]-4-fluoro-benzamide 5-amino-2-bromo-N-[(3R)-1,1-diox…

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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)	1.23	0.96	-19.04	3	5	0	89	365.224	2	↓ MOL2 SDF SMILES Flexibase

69140324

Analogs

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Popular Name: 5-amino-2-bromo-N-[(3S)-1,1-dioxothian-3-yl]-4-fluoro-benzamide 5-amino-2-bromo-N-[(3S)-1,1-diox…

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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)	1.23	0.96	-19.04	3	5	0	89	365.224	2	↓ MOL2 SDF SMILES Flexibase

69140326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothian-3-yl]-5-methoxy-benzamide 2-amino-N-[(3R)-1,1-dioxothian-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)	0.39	-0.14	-16.39	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

69140327

Analogs

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Popular Name: 2-amino-N-[(3S)-1,1-dioxothian-3-yl]-5-methoxy-benzamide 2-amino-N-[(3S)-1,1-dioxothian-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)	0.39	-0.14	-16.37	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

69140329

Analogs

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Popular Name: 3-amino-4-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide 3-amino-4-bromo-N-[(3R)-1,1-diox…

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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	0.93	-17.8	3	5	0	89	347.234	2	↓ MOL2 SDF SMILES Flexibase

69140330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-bromo-N-[(3S)-1,1-dioxothian-3-yl]benzamide 3-amino-4-bromo-N-[(3S)-1,1-diox…

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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	0.93	-17.79	3	5	0	89	347.234	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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