ZINC 12

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ZINC Item

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49335151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 4-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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	4.68	-16.71	0	6	0	78	336.145	3	↓ MOL2 SDF SMILES Flexibase

49335154

Analogs

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Popular Name: 5-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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)	1.93	4.69	-13.82	0	6	0	78	336.145	3	↓ MOL2 SDF SMILES Flexibase

49335157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.15	4.07	-15.67	0	6	0	78	257.249	3	↓ MOL2 SDF SMILES Flexibase

49335160

Analogs

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Popular Name: 5-chloro-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-chloro-1-[(5-ethyl-1,2,4-oxadi…

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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	4.58	-13.96	0	6	0	78	291.694	3	↓ MOL2 SDF SMILES Flexibase

49335163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.57	4.74	-15.09	0	6	0	78	271.276	3	↓ MOL2 SDF SMILES Flexibase

49335166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-fluoro-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.29	4.14	-12.96	0	6	0	78	275.239	3	↓ MOL2 SDF SMILES Flexibase

49335169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	0.31	4.15	-14.4	0	6	0	78	275.239	3	↓ MOL2 SDF SMILES Flexibase

49335173

Analogs

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Popular Name: 6-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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)	1.93	4.69	-12.49	0	6	0	78	336.145	3	↓ MOL2 SDF SMILES Flexibase

49335176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-7-methyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.55	4.58	-12.96	0	6	0	78	271.276	3	↓ MOL2 SDF SMILES Flexibase

49335179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,7-dimethyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.95	5.24	-12.32	0	6	0	78	285.303	3	↓ MOL2 SDF SMILES Flexibase

49335181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dimethyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.95	5.12	-12.55	0	6	0	78	285.303	3	↓ MOL2 SDF SMILES Flexibase

49335184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methoxy-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.18	3.39	-14.62	0	7	0	87	287.275	4	↓ MOL2 SDF SMILES Flexibase

49335187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-chloro-1-[(5-ethyl-1,2,4-oxadi…

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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	4.58	-12.72	0	6	0	78	291.694	3	↓ MOL2 SDF SMILES Flexibase

49335190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-indoline-2,3-dione 7-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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)	1.05	5.03	-10.55	0	6	0	78	354.135	3	↓ MOL2 SDF SMILES Flexibase

49335193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 7-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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	4.96	-13.6	0	6	0	78	336.145	3	↓ MOL2 SDF SMILES Flexibase

49335196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dimethyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.95	5.39	-14.84	0	6	0	78	285.303	3	↓ MOL2 SDF SMILES Flexibase

49335199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methoxy-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.18	3.36	-15.78	0	7	0	87	287.275	4	↓ MOL2 SDF SMILES Flexibase

49335202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-ethyl-1-[(5-ethyl-1,2,4-oxadia…

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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	5.5	-14.98	0	6	0	78	285.303	4	↓ MOL2 SDF SMILES Flexibase

49335205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,7-dimethyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.95	5.23	-12.9	0	6	0	78	285.303	3	↓ MOL2 SDF SMILES Flexibase

49335208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 7-chloro-1-[(5-ethyl-1,2,4-oxadi…

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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	4.74	-13.85	0	6	0	78	291.694	3	↓ MOL2 SDF SMILES Flexibase

49335211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,7-difluoro-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	0.40	4.11	-11.45	0	6	0	78	293.229	3	↓ MOL2 SDF SMILES Flexibase

49335214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-7-fluoro-5-methyl-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.66	4.71	-13.36	0	6	0	78	289.266	3	↓ MOL2 SDF SMILES Flexibase

49335217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-7-methyl-indoline-2,3-dione 5-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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)	2.31	5.19	-10.8	0	6	0	78	350.172	3	↓ MOL2 SDF SMILES Flexibase

49335220

Analogs

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Popular Name: 4-chloro-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-7-fluoro-indoline-2,3-dione 4-chloro-1-[(5-ethyl-1,2,4-oxadi…

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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)	1.89	4.55	-14.16	0	6	0	78	309.684	3	↓ MOL2 SDF SMILES Flexibase

49335222

Analogs

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Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-difluoro-indoline-2,3-dione 1-[(5-ethyl-1,2,4-oxadiazol-3-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)	1.38	4.21	-13.67	0	6	0	78	293.229	3	↓ MOL2 SDF SMILES Flexibase

49335225

Analogs

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Popular Name: 5-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-fluoro-indoline-2,3-dione 5-bromo-1-[(5-ethyl-1,2,4-oxadia…

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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)	2.02	4.73	-11.57	0	6	0	78	354.135	3	↓ MOL2 SDF SMILES Flexibase

49335228

Analogs

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Popular Name: 4-chloro-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 4-chloro-1-[(5-ethyl-1,2,4-oxadi…

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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	4.58	-16.96	0	6	0	78	291.694	3	↓ MOL2 SDF SMILES Flexibase

49336414

Analogs

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Popular Name: 4-bromo-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 4-bromo-1-[(5-isopropyl-1,2,4-ox…

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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)	2.39	5.29	-16.38	0	6	0	78	350.172	3	↓ MOL2 SDF SMILES Flexibase

49336416

Analogs

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Popular Name: 5-bromo-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-bromo-1-[(5-isopropyl-1,2,4-ox…

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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	5.3	-13.41	0	6	0	78	350.172	3	↓ MOL2 SDF SMILES Flexibase

49336418

Analogs

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Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 1-[(5-isopropyl-1,2,4-oxadiazol-…

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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)	1.63	4.69	-15.36	0	6	0	78	271.276	3	↓ MOL2 SDF SMILES Flexibase

49336421

Analogs

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Popular Name: 5-chloro-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-chloro-1-[(5-isopropyl-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	5.19	-13.58	0	6	0	78	305.721	3	↓ MOL2 SDF SMILES Flexibase

49336424

Analogs

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Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-indoline-2,3-dione 1-[(5-isopropyl-1,2,4-oxadiazol-…

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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)	2.06	5.35	-14.64	0	6	0	78	285.303	3	↓ MOL2 SDF SMILES Flexibase

49336427

Analogs

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Popular Name: 6-fluoro-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-fluoro-1-[(5-isopropyl-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	4.76	-12.55	0	6	0	78	289.266	3	↓ MOL2 SDF SMILES Flexibase

49336429

Analogs

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Popular Name: 5-fluoro-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-fluoro-1-[(5-isopropyl-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	4.76	-14.04	0	6	0	78	289.266	3	↓ MOL2 SDF SMILES Flexibase

49336432

Analogs

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Popular Name: 6-bromo-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-bromo-1-[(5-isopropyl-1,2,4-ox…

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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	5.29	-12.13	0	6	0	78	350.172	3	↓ MOL2 SDF SMILES Flexibase

49336434

Analogs

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Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-7-methyl-indoline-2,3-dione 1-[(5-isopropyl-1,2,4-oxadiazol-…

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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)	2.03	5.58	-14.87	0	6	0	78	285.303	3	↓ MOL2 SDF SMILES Flexibase

49336437

Analogs

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Popular Name: 6-chloro-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-chloro-1-[(5-isopropyl-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	5.2	-12.34	0	6	0	78	305.721	3	↓ MOL2 SDF SMILES Flexibase

49336440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 7-bromo-1-[(5-isopropyl-1,2,4-ox…

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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)	2.39	5.58	-13.27	0	6	0	78	350.172	3	↓ MOL2 SDF SMILES Flexibase

49336443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 7-chloro-1-[(5-isopropyl-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	5.34	-13.43	0	6	0	78	305.721	3	↓ MOL2 SDF SMILES Flexibase

49336446

Analogs

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Popular Name: 4-chloro-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 4-chloro-1-[(5-isopropyl-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	5.18	-16.65	0	6	0	78	305.721	3	↓ MOL2 SDF SMILES Flexibase

49339698

Analogs

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Popular Name: 4-bromo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 4-bromo-1-[(5-propyl-1,2,4-oxadi…

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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)	2.41	5.45	-16.23	0	6	0	78	350.172	4	↓ MOL2 SDF SMILES Flexibase

49339699

Analogs

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Popular Name: 5-bromo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-bromo-1-[(5-propyl-1,2,4-oxadi…

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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)	2.43	5.47	-13.34	0	6	0	78	350.172	4	↓ MOL2 SDF SMILES Flexibase

49339701

Analogs

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Popular Name: 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 1-[(5-propyl-1,2,4-oxadiazol-3-y…

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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)	1.65	4.84	-15.17	0	6	0	78	271.276	4	↓ MOL2 SDF SMILES Flexibase

49339703

Analogs

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Popular Name: 5-chloro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-chloro-1-[(5-propyl-1,2,4-oxad…

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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)	2.30	5.35	-13.49	0	6	0	78	305.721	4	↓ MOL2 SDF SMILES Flexibase

49339706

Analogs

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Popular Name: 5-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-methyl-1-[(5-propyl-1,2,4-oxad…

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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)	2.07	5.51	-14.59	0	6	0	78	285.303	4	↓ MOL2 SDF SMILES Flexibase

49339708

Analogs

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Popular Name: 6-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-fluoro-1-[(5-propyl-1,2,4-oxad…

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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)	1.79	4.92	-12.5	0	6	0	78	289.266	4	↓ MOL2 SDF SMILES Flexibase

49339710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 5-fluoro-1-[(5-propyl-1,2,4-oxad…

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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	4.92	-13.88	0	6	0	78	289.266	4	↓ MOL2 SDF SMILES Flexibase

49339712

Analogs

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Popular Name: 6-bromo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-bromo-1-[(5-propyl-1,2,4-oxadi…

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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)	2.43	5.45	-12.03	0	6	0	78	350.172	4	↓ MOL2 SDF SMILES Flexibase

49339714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 7-methyl-1-[(5-propyl-1,2,4-oxad…

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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)	2.05	5.35	-12.51	0	6	0	78	285.303	4	↓ MOL2 SDF SMILES Flexibase

49339716

Analogs

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Popular Name: 6-chloro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indoline-2,3-dione 6-chloro-1-[(5-propyl-1,2,4-oxad…

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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)	2.30	5.35	-12.22	0	6	0	78	305.721	4	↓ MOL2 SDF SMILES Flexibase

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