ZINC 12

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ZINC Item

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22733184

Analogs

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Popular Name: 4-methoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-methoxy-N-[(2S)-2-(1-methylind…

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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)	2.72	5.13	-12.38	1	6	0	54	395.503	6	↓ MOL2 SDF SMILES Flexibase

22733187

Analogs

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Popular Name: 4-methoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-methoxy-N-[(2R)-2-(1-methylind…

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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)	2.72	5.19	-12.93	1	6	0	54	395.503	6	↓ MOL2 SDF SMILES Flexibase

22733201

Analogs

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Popular Name: 3,5-dimethoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3,5-dimethoxy-N-[(2S)-2-(1-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	4.46	-12.45	1	7	0	63	425.529	7	↓ MOL2 SDF SMILES Flexibase

22733204

Analogs

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Popular Name: 3,5-dimethoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3,5-dimethoxy-N-[(2R)-2-(1-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	4.51	-12.83	1	7	0	63	425.529	7	↓ MOL2 SDF SMILES Flexibase

22733207

Analogs

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Popular Name: 3,4,5-trimethoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3,4,5-trimethoxy-N-[(2S)-2-(1-me…

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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)	2.29	4.99	-14.38	1	8	0	73	455.555	8	↓ MOL2 SDF SMILES Flexibase

22733210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3,4,5-trimethoxy-N-[(2R)-2-(1-me…

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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)	2.29	5.05	-14.83	1	8	0	73	455.555	8	↓ MOL2 SDF SMILES Flexibase

22733212

Analogs

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Popular Name: 2-methyl-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-methyl-N-[(2S)-2-(1-methylindo…

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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)	3.06	6.03	-10.7	1	5	0	45	379.504	5	↓ MOL2 SDF SMILES Flexibase

22733215

Analogs

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Popular Name: 2-methyl-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-methyl-N-[(2R)-2-(1-methylindo…

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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)	3.06	6.8	-11.44	1	5	0	45	379.504	5	↓ MOL2 SDF SMILES Flexibase

22733218

Analogs

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Popular Name: 4-chloro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-chloro-N-[(2S)-2-(1-methylindo…

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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)	3.34	6.33	-10.42	1	5	0	45	399.922	5	↓ MOL2 SDF SMILES Flexibase

22733221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-chloro-N-[(2R)-2-(1-methylindo…

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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)	3.34	6.38	-10.96	1	5	0	45	399.922	5	↓ MOL2 SDF SMILES Flexibase

22733236

Analogs

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Popular Name: 4-isopropoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-isopropoxy-N-[(2S)-2-(1-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)	3.46	6.67	-11.48	1	6	0	54	423.557	7	↓ MOL2 SDF SMILES Flexibase

22733239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-isopropoxy-N-[(2R)-2-(1-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)	3.46	6.72	-11.65	1	6	0	54	423.557	7	↓ MOL2 SDF SMILES Flexibase

22733242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-ethoxy-N-[(2S)-2-(1-methylindo…

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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)	3.59	7.31	-14.47	1	6	0	54	409.53	7	↓ MOL2 SDF SMILES Flexibase

22733244

Analogs

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Popular Name: 2-ethoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-ethoxy-N-[(2R)-2-(1-methylindo…

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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)	3.59	7.65	-15.41	1	6	0	54	409.53	7	↓ MOL2 SDF SMILES Flexibase

22733253

Analogs

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Popular Name: 4-butoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-butoxy-N-[(2S)-2-(1-methylindo…

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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	7.38	-11.64	1	6	0	54	437.584	9	↓ MOL2 SDF SMILES Flexibase

22733255

Analogs

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Popular Name: 4-butoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-butoxy-N-[(2R)-2-(1-methylindo…

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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	7.7	-12.23	1	6	0	54	437.584	9	↓ MOL2 SDF SMILES Flexibase

22733258

Analogs

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Popular Name: 2,6-difluoro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2,6-difluoro-N-[(2S)-2-(1-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)	2.89	5.78	-13.41	1	5	0	45	401.457	5	↓ MOL2 SDF SMILES Flexibase

22733261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2,6-difluoro-N-[(2R)-2-(1-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)	2.89	5.82	-13.73	1	5	0	45	401.457	5	↓ MOL2 SDF SMILES Flexibase

22733276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2,6-dimethoxy-N-[(2S)-2-(1-methy…

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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)	2.68	4.41	-15.08	1	7	0	63	425.529	7	↓ MOL2 SDF SMILES Flexibase

22733279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2,6-dimethoxy-N-[(2R)-2-(1-methy…

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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)	2.68	4.45	-15.29	1	7	0	63	425.529	7	↓ MOL2 SDF SMILES Flexibase

22733282

Analogs

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Popular Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-3-(trifluoromethyl)benzamide N-[(2S)-2-(1-methylindolin-5-yl)…

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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)	3.53	6.81	-13.82	1	5	0	45	433.474	6	↓ MOL2 SDF SMILES Flexibase

22733285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-3-(trifluoromethyl)benzamide N-[(2R)-2-(1-methylindolin-5-yl)…

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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)	3.53	7.14	-14.45	1	5	0	45	433.474	6	↓ MOL2 SDF SMILES Flexibase

22733298

Analogs

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Popular Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-4-(trifluoromethyl)benzamide N-[(2S)-2-(1-methylindolin-5-yl)…

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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)	3.56	6.82	-10.93	1	5	0	45	433.474	6	↓ MOL2 SDF SMILES Flexibase

22733301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-4-(trifluoromethyl)benzamide N-[(2R)-2-(1-methylindolin-5-yl)…

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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)	3.56	6.87	-11.48	1	5	0	45	433.474	6	↓ MOL2 SDF SMILES Flexibase

22733310

Analogs

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Popular Name: 5-chloro-2-methoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 5-chloro-2-methoxy-N-[(2S)-2-(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)	3.87	6.91	-11.88	1	6	0	54	429.948	6	↓ MOL2 SDF SMILES Flexibase

22733312

Analogs

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Popular Name: 5-chloro-2-methoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 5-chloro-2-methoxy-N-[(2R)-2-(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)	3.87	6.97	-12.44	1	6	0	54	429.948	6	↓ MOL2 SDF SMILES Flexibase

22733321

Analogs

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Popular Name: 2-fluoro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-fluoro-N-[(2S)-2-(1-methylindo…

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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)	2.78	5.89	-15.59	1	5	0	45	383.467	5	↓ MOL2 SDF SMILES Flexibase

22733324

Analogs

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Popular Name: 2-fluoro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-fluoro-N-[(2R)-2-(1-methylindo…

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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)	2.78	6.23	-16.44	1	5	0	45	383.467	5	↓ MOL2 SDF SMILES Flexibase

22733332

Analogs

25537878
25537882

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Popular Name: 4-fluoro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-fluoro-N-[(2S)-2-(1-methylindo…

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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)	2.82	5.88	-10.85	1	5	0	45	383.467	5	↓ MOL2 SDF SMILES Flexibase

22733335

Analogs

25537878
25537882

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-fluoro-N-[(2R)-2-(1-methylindo…

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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)	2.82	5.93	-11.41	1	5	0	45	383.467	5	↓ MOL2 SDF SMILES Flexibase

22733337

Analogs

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Popular Name: N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-2-(trifluoromethyl)benzamide N-[(2S)-2-(1-methylindolin-5-yl)…

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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)	3.51	6.58	-14.99	1	5	0	45	433.474	6	↓ MOL2 SDF SMILES Flexibase

22733340

Analogs

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Popular Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]-2-(trifluoromethyl)benzamide N-[(2R)-2-(1-methylindolin-5-yl)…

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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)	3.51	7.2	-16.18	1	5	0	45	433.474	6	↓ MOL2 SDF SMILES Flexibase

22733343

Analogs

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Popular Name: 2-chloro-6-fluoro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-chloro-6-fluoro-N-[(2S)-2-(1-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)	3.41	6.16	-12.37	1	5	0	45	417.912	5	↓ MOL2 SDF SMILES Flexibase

22733346

Analogs

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Popular Name: 2-chloro-6-fluoro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-chloro-6-fluoro-N-[(2R)-2-(1-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)	3.41	6.22	-12.88	1	5	0	45	417.912	5	↓ MOL2 SDF SMILES Flexibase

22733349

Analogs

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Popular Name: 3-fluoro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-fluoro-N-[(2S)-2-(1-methylindo…

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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)	2.80	5.88	-13.43	1	5	0	45	383.467	5	↓ MOL2 SDF SMILES Flexibase

22733352

Analogs

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Popular Name: 3-fluoro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-fluoro-N-[(2R)-2-(1-methylindo…

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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)	2.80	6.22	-14.13	1	5	0	45	383.467	5	↓ MOL2 SDF SMILES Flexibase

22733355

Analogs

37008658
37008659

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3,5-dimethyl-N-[(2S)-2-(1-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)	3.49	7.14	-11.15	1	5	0	45	393.531	5	↓ MOL2 SDF SMILES Flexibase

22733358

Analogs

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Popular Name: 3,5-dimethyl-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3,5-dimethyl-N-[(2R)-2-(1-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)	3.49	7.19	-11.66	1	5	0	45	393.531	5	↓ MOL2 SDF SMILES Flexibase

22733390

Analogs

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Popular Name: 2-methoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-methoxy-N-[(2S)-2-(1-methylind…

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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)	3.22	6.12	-14.05	1	6	0	54	395.503	6	↓ MOL2 SDF SMILES Flexibase

22733393

Analogs

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Popular Name: 2-methoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-methoxy-N-[(2R)-2-(1-methylind…

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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)	3.22	6.73	-15.43	1	6	0	54	395.503	6	↓ MOL2 SDF SMILES Flexibase

22733402

Analogs

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Popular Name: 3-bromo-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-bromo-N-[(2S)-2-(1-methylindol…

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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)	3.45	6.43	-12.53	1	5	0	45	444.373	5	↓ MOL2 SDF SMILES Flexibase

22733405

Analogs

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Popular Name: 3-bromo-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-bromo-N-[(2R)-2-(1-methylindol…

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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)	3.45	6.77	-13.25	1	5	0	45	444.373	5	↓ MOL2 SDF SMILES Flexibase

22733407

Analogs

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Popular Name: 3-methoxy-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-methoxy-N-[(2S)-2-(1-methylind…

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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	5.13	-14.21	1	6	0	54	395.503	6	↓ MOL2 SDF SMILES Flexibase

22733410

Analogs

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Popular Name: 3-methoxy-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-methoxy-N-[(2R)-2-(1-methylind…

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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	5.47	-15.13	1	6	0	54	395.503	6	↓ MOL2 SDF SMILES Flexibase

22733413

Analogs

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Popular Name: 4-bromo-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-bromo-N-[(2S)-2-(1-methylindol…

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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)	3.47	6.44	-10.41	1	5	0	45	444.373	5	↓ MOL2 SDF SMILES Flexibase

22733416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 4-bromo-N-[(2R)-2-(1-methylindol…

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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)	3.47	6.49	-10.84	1	5	0	45	444.373	5	↓ MOL2 SDF SMILES Flexibase

22733419

Analogs

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Popular Name: 2-chloro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-chloro-N-[(2S)-2-(1-methylindo…

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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)	3.29	6.33	-12.96	1	5	0	45	399.922	5	↓ MOL2 SDF SMILES Flexibase

22733422

Analogs

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Popular Name: 2-chloro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 2-chloro-N-[(2R)-2-(1-methylindo…

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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)	3.29	6.67	-13.61	1	5	0	45	399.922	5	↓ MOL2 SDF SMILES Flexibase

22733425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2S)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-chloro-N-[(2S)-2-(1-methylindo…

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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)	3.31	6.32	-12.6	1	5	0	45	399.922	5	↓ MOL2 SDF SMILES Flexibase

22733428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2R)-2-(1-methylindolin-5-yl)-2-morpholino-ethyl]benzamide 3-chloro-N-[(2R)-2-(1-methylindo…

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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)	3.31	6.66	-13.3	1	5	0	45	399.922	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 116707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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