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ZINC Item

Suppliers, Protomers, & Similar Substances

53300785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-3-(2,4,6-trimethylphenyl)propan-2-one 1-phenyl-3-(2,4,6-trimethylpheny…

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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)	4.29	11.33	-9.52	0	1	0	17	252.357	4	↓ MOL2 SDF SMILES Flexibase

53300795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(4-fluorophenyl)-3-(2,4,6-trim…

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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)	4.46	11.4	-10.98	0	1	0	17	270.347	4	↓ MOL2 SDF SMILES Flexibase

53300819

Analogs

43502108

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(3-fluorophenyl)-3-(2,4,6-trim…

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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)	4.43	11.4	-10.95	0	1	0	17	270.347	4	↓ MOL2 SDF SMILES Flexibase

53300821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(2-methoxyphenyl)-3-(2,4,6-tri…

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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)	4.30	10.69	-10.23	0	2	0	26	282.383	5	↓ MOL2 SDF SMILES Flexibase

53300823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(3-methoxyphenyl)-3-(2,4,6-tri…

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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)	4.33	10.63	-11.43	0	2	0	26	282.383	5	↓ MOL2 SDF SMILES Flexibase

53300825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(4-methoxyphenyl)-3-(2,4,6-tri…

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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)	4.35	10.63	-11.46	0	2	0	26	282.383	5	↓ MOL2 SDF SMILES Flexibase

53300833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-difluorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(3,5-difluorophenyl)-3-(2,4,6-…

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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)	4.55	11.47	-11.12	0	1	0	17	288.337	4	↓ MOL2 SDF SMILES Flexibase

53300835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-one 1-(2-fluorophenyl)-3-(2,4,6-trim…

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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)	4.41	11.36	-10.3	0	1	0	17	270.347	4	↓ MOL2 SDF SMILES Flexibase

62607131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-bis(2-chloro-4-fluoro-phenyl)propan-2-one 1,3-bis(2-chloro-4-fluoro-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)	4.63	10.6	-10.8	0	1	0	17	315.146	4	↓ MOL2 SDF SMILES Flexibase

62607149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-(5-chloro-2-methoxy-phenyl)propan-2-one 1-(2-chloro-4-fluoro-phenyl)-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)	4.52	9.98	-9.7	0	2	0	26	327.182	5	↓ MOL2 SDF SMILES Flexibase

62607154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-(2,3-difluorophenyl)propan-2-one 1-(2-chloro-4-fluoro-phenyl)-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)	4.09	10.21	-14.21	0	1	0	17	298.691	4	↓ MOL2 SDF SMILES Flexibase

62607238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-(2,5-difluorophenyl)propan-2-one 1-(2-chloro-4-fluoro-phenyl)-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)	4.12	10.2	-10.41	0	1	0	17	298.691	4	↓ MOL2 SDF SMILES Flexibase

62607246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-methoxy-phenyl)-3-(2-chloro-4-fluoro-phenyl)propan-2-one 1-(5-bromo-2-methoxy-phenyl)-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)	4.65	10.08	-9.66	0	2	0	26	371.633	5	↓ MOL2 SDF SMILES Flexibase

62607248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromo-4-methoxy-phenyl)-3-(2-chloro-4-fluoro-phenyl)propan-2-one 1-(3-bromo-4-methoxy-phenyl)-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)	4.65	10.07	-12.71	0	2	0	26	371.633	5	↓ MOL2 SDF SMILES Flexibase

62607260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-(2,4-difluorophenyl)propan-2-one 1-(2-chloro-4-fluoro-phenyl)-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)	4.12	10.22	-11.89	0	1	0	17	298.691	4	↓ MOL2 SDF SMILES Flexibase

62607263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-(2-methoxy-5-methyl-phenyl)propan-2-one 1-(2-chloro-4-fluoro-phenyl)-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)	4.29	10.14	-9.62	0	2	0	26	306.764	5	↓ MOL2 SDF SMILES Flexibase

62607274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-(3-fluoro-4-methoxy-phenyl)propan-2-one 1-(2-chloro-4-fluoro-phenyl)-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)	4.01	9.49	-14.42	0	2	0	26	310.727	5	↓ MOL2 SDF SMILES Flexibase

59815879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-1-formyl-3-hydroxy-2-oxo-1,3-diphenyl-propyl] [(1S,3S)-1-formyl-3-hydroxy-2-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)	1.56	6.89	-8.74	1	5	0	81	298.294	7	↓ MOL2 SDF SMILES Flexibase

59815886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-1-formyl-3-hydroxy-2-oxo-1,3-diphenyl-propyl] [(1S,3R)-1-formyl-3-hydroxy-2-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)	1.56	6.66	-8.41	1	5	0	81	298.294	7	↓ MOL2 SDF SMILES Flexibase

59815893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S)-1-formyl-3-hydroxy-2-oxo-1,3-diphenyl-propyl] [(1R,3S)-1-formyl-3-hydroxy-2-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)	1.56	6.61	-8.46	1	5	0	81	298.294	7	↓ MOL2 SDF SMILES Flexibase

59815898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R)-1-formyl-3-hydroxy-2-oxo-1,3-diphenyl-propyl] [(1R,3R)-1-formyl-3-hydroxy-2-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)	1.56	6.89	-8.99	1	5	0	81	298.294	7	↓ MOL2 SDF SMILES Flexibase

62772812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(5-bromo-2-fluoro-phenyl)-3-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)	4.96	11	-8.17	0	1	0	17	335.216	4	↓ MOL2 SDF SMILES Flexibase

62772813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-chloro-4-fluoro-phenyl)-3-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)	4.83	10.85	-8.64	0	1	0	17	290.765	4	↓ MOL2 SDF SMILES Flexibase

62772814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-methyl-3-phenyl-butan-2-one 1-(3-methoxyphenyl)-3-methyl-3-p…

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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)	4.09	9.65	-10.22	0	2	0	26	268.356	5	↓ MOL2 SDF SMILES Flexibase

62772820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-bromo-4-fluoro-phenyl)-3-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)	4.96	10.94	-8.51	0	1	0	17	335.216	4	↓ MOL2 SDF SMILES Flexibase

62772822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromo-4-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(3-bromo-4-fluoro-phenyl)-3-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)	4.96	11.01	-10.31	0	1	0	17	335.216	4	↓ MOL2 SDF SMILES Flexibase

62772823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-5-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-bromo-5-fluoro-phenyl)-3-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)	4.96	10.94	-7.68	0	1	0	17	335.216	4	↓ MOL2 SDF SMILES Flexibase

62772827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromo-2-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(4-bromo-2-fluoro-phenyl)-3-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)	4.96	11.01	-9.01	0	1	0	17	335.216	4	↓ MOL2 SDF SMILES Flexibase

62772829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methoxy-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(5-chloro-2-methoxy-phenyl)-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)	4.72	10.22	-8.95	0	2	0	26	302.801	5	↓ MOL2 SDF SMILES Flexibase

62772831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-methyl-3-phenyl-butan-2-one 1-(2,3-difluorophenyl)-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)	4.29	10.44	-11.62	0	1	0	17	274.31	4	↓ MOL2 SDF SMILES Flexibase

62772860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-3-methyl-3-phenyl-butan-2-one 1-(3,5-dimethylphenyl)-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)	4.89	11.66	-8.66	0	1	0	17	266.384	4	↓ MOL2 SDF SMILES Flexibase

62772864

Analogs

32220236
32220237

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-methyl-3-phenyl-butan-2-one 1-(2,5-dimethylphenyl)-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)	4.89	11.53	-8.68	0	1	0	17	266.384	4	↓ MOL2 SDF SMILES Flexibase

62772865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-methyl-3-phenyl-butan-2-one 1-(4-ethylphenyl)-3-methyl-3-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)	4.98	11.78	-8.31	0	1	0	17	266.384	5	↓ MOL2 SDF SMILES Flexibase

62772868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-difluorophenyl)-3-methyl-3-phenyl-butan-2-one 1-(2,5-difluorophenyl)-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)	4.32	10.45	-8.7	0	1	0	17	274.31	4	↓ MOL2 SDF SMILES Flexibase

62772869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-6-fluoro-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-chloro-6-fluoro-phenyl)-3-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)	4.81	10.81	-7.93	0	1	0	17	290.765	4	↓ MOL2 SDF SMILES Flexibase

62772871

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-methoxyphenyl)-3-methyl-3-p…

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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)	4.07	9.71	-9.27	0	2	0	26	268.356	5	↓ MOL2 SDF SMILES Flexibase

62772874

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-3-methyl-3-phenyl-butan-2-one 1-(3,4-dimethylphenyl)-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)	4.89	11.56	-8.7	0	1	0	17	266.384	4	↓ MOL2 SDF SMILES Flexibase

62772875

Analogs

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Popular Name: 1-(5-bromo-2-methoxy-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(5-bromo-2-methoxy-phenyl)-3-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)	4.86	10.33	-8.89	0	2	0	26	347.252	5	↓ MOL2 SDF SMILES Flexibase

62772876

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(3-bromo-4-methoxy-phenyl)-3-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)	4.86	10.32	-10.92	0	2	0	26	347.252	5	↓ MOL2 SDF SMILES Flexibase

62772878

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-methyl-3-phenyl-butan-2-one 1-(4-fluorophenyl)-3-methyl-3-ph…

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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)	4.23	10.42	-9.59	0	1	0	17	256.32	4	↓ MOL2 SDF SMILES Flexibase

62772879

Analogs

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Popular Name: 1-(2-bromophenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-bromophenyl)-3-methyl-3-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)	4.82	10.87	-7.94	0	1	0	17	317.226	4	↓ MOL2 SDF SMILES Flexibase

62772880

Analogs

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Popular Name: 3-methyl-3-phenyl-1-(p-tolyl)butan-2-one 3-methyl-3-phenyl-1-(p-tolyl)but…

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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)	4.51	11.02	-8.48	0	1	0	17	252.357	4	↓ MOL2 SDF SMILES Flexibase

62772881

Analogs

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Popular Name: 1-(4-bromophenyl)-3-methyl-3-phenyl-butan-2-one 1-(4-bromophenyl)-3-methyl-3-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)	4.87	10.98	-8.78	0	1	0	17	317.226	4	↓ MOL2 SDF SMILES Flexibase

62772882

Analogs

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Popular Name: 1-(3-bromophenyl)-3-methyl-3-phenyl-butan-2-one 1-(3-bromophenyl)-3-methyl-3-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)	4.85	10.97	-8.73	0	1	0	17	317.226	4	↓ MOL2 SDF SMILES Flexibase

62772883

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-fluorophenyl)-3-methyl-3-ph…

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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)	4.18	10.39	-9.22	0	1	0	17	256.32	4	↓ MOL2 SDF SMILES Flexibase

62772885

Analogs

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Popular Name: 3-methyl-1-(m-tolyl)-3-phenyl-butan-2-one 3-methyl-1-(m-tolyl)-3-phenyl-bu…

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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)	4.49	11.01	-8.5	0	1	0	17	252.357	4	↓ MOL2 SDF SMILES Flexibase

62772886

Analogs

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Popular Name: 3-methyl-1-(o-tolyl)-3-phenyl-butan-2-one 3-methyl-1-(o-tolyl)-3-phenyl-bu…

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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)	4.46	10.87	-8.4	0	1	0	17	252.357	4	↓ MOL2 SDF SMILES Flexibase

62772890

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-chlorophenyl)-3-methyl-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.69	10.78	-8.05	0	1	0	17	272.775	4	↓ MOL2 SDF SMILES Flexibase

62772895

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-methyl-3-phenyl-butan-2-one 1-(2,4-difluorophenyl)-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)	4.32	10.45	-9.53	0	1	0	17	274.31	4	↓ MOL2 SDF SMILES Flexibase

62772896

Analogs

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Popular Name: 1-(2-methoxy-5-methyl-phenyl)-3-methyl-3-phenyl-butan-2-one 1-(2-methoxy-5-methyl-phenyl)-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)	4.50	10.36	-9.33	0	2	0	26	282.383	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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