ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

24986313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-dichlorophenyl)methoxy]-2,8-dimethyl-3-(o-tolyl)chromen-4-one 7-[(2,6-dichlorophenyl)methoxy]-…

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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)	7.43	14.62	-11	0	3	0	39	439.338	4	↓ MOL2 SDF SMILES Flexibase

540447

Analogs

2153187
3937839
101462

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Popular Name: 7-(4-methylbenzyl)oxy-3-phenyl-chromone 7-(4-methylbenzyl)oxy-3-phenyl-c…

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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)	5.62	2.92	-11.04	0	3	0	39	342.394	4	↓ MOL2 SDF SMILES Flexibase

1790937

Analogs

1962109

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Popular Name: 7-(3-bromobenzyl)oxy-3-phenyl-chromone 7-(3-bromobenzyl)oxy-3-phenyl-ch…

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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)	5.95	1.84	-11.59	0	3	0	39	407.263	4	↓ MOL2 SDF SMILES Flexibase

1791383

Analogs

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Popular Name: 3-(2-methoxyphenyl)-7-(4-vinylbenzyl)oxy-chromone 3-(2-methoxyphenyl)-7-(4-vinylbe…

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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)	6.03	3.51	-13.41	0	4	0	48	384.431	6	↓ MOL2 SDF SMILES Flexibase

2093242

Analogs

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Popular Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-chromen-7-yl]oxy-2-phenyl-acetic-acid-ethyl-ester (2R)-2-[3-(3,4-dimethoxyphenyl)-…

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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)	5.26	4.62	-17.57	0	7	0	84	474.509	9	↓ MOL2 SDF SMILES Flexibase

2093245

Analogs

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Popular Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-chromen-7-yl]oxy-2-phenyl-acetic-acid-ethyl-ester (2S)-2-[3-(3,4-dimethoxyphenyl)-…

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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)	5.26	4.56	-16.76	0	7	0	84	474.509	9	↓ MOL2 SDF SMILES Flexibase

41504280

Analogs

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Popular Name: 3-(2-methoxyphenyl)-7-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(2-methoxyphenyl)-7-[(3-methox…

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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)	6.34	11.1	-12.12	0	5	0	58	456.416	7	↓ MOL2 SDF SMILES Flexibase

41504284

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-chlorophenyl)-7-[(3-methoxy…

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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)	7.01	12.3	-8.88	0	4	0	49	460.835	6	↓ MOL2 SDF SMILES Flexibase

41504288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-7-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(3,4-dimethoxyphenyl)-7-[(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)	5.98	10.98	-12.67	0	6	0	67	486.442	8	↓ MOL2 SDF SMILES Flexibase

41504292

Analogs

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Popular Name: 3-(4-bromophenyl)-7-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-bromophenyl)-7-[(3-methoxyp…

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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)	7.14	12.41	-8.87	0	4	0	49	505.286	6	↓ MOL2 SDF SMILES Flexibase

41504855

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-7-[(4-vinylphenyl)methoxy]chromen-4-one 3-(3,4-dimethoxyphenyl)-2-(trifl…

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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)	6.80	12.76	-11.41	0	5	0	58	482.454	8	↓ MOL2 SDF SMILES Flexibase

41504859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-2-(trifluoromethyl)-7-[(4-vinylphenyl)methoxy]chromen-4-one 3-(4-bromophenyl)-2-(trifluorome…

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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)	7.96	14.2	-7.53	0	3	0	39	501.298	6	↓ MOL2 SDF SMILES Flexibase

41505918

Analogs

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Popular Name: 3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(2-methoxyphenyl)-7-[(4-methox…

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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)	6.37	11.1	-12.04	0	5	0	58	456.416	7	↓ MOL2 SDF SMILES Flexibase

41505922

Analogs

1768183
1769153

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(3,4-dimethoxyphenyl)-7-[(4-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)	6.01	10.98	-12.71	0	6	0	67	486.442	8	↓ MOL2 SDF SMILES Flexibase

41505926

Analogs

2404506

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-7-[(4-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-bromophenyl)-7-[(4-methoxyp…

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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)	7.17	12.41	-8.85	0	4	0	49	505.286	6	↓ MOL2 SDF SMILES Flexibase

41507218

Analogs

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Popular Name: 3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]chromen-4-one 3-(2-methoxyphenyl)-7-[(2-methox…

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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)	5.19	10.41	-12.09	0	5	0	58	388.419	6	↓ MOL2 SDF SMILES Flexibase

41507221

Analogs

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Popular Name: 3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2-methyl-chromen-4-one 3-(2-methoxyphenyl)-7-[(2-methox…

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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)	5.41	11.07	-13.29	0	5	0	58	402.446	6	↓ MOL2 SDF SMILES Flexibase

41507224

Analogs

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Popular Name: 3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(2-methoxyphenyl)-7-[(2-methox…

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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)	6.32	11.26	-10.48	0	5	0	58	456.416	7	↓ MOL2 SDF SMILES Flexibase

41507227

Analogs

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Popular Name: 7-[(2-methoxyphenyl)methoxy]-3-phenyl-chromen-4-one 7-[(2-methoxyphenyl)methoxy]-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)	5.18	11.09	-11.16	0	4	0	49	358.393	5	↓ MOL2 SDF SMILES Flexibase

41507231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2-methoxyphenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one 7-[(2-methoxyphenyl)methoxy]-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)	6.31	11.94	-8.13	0	4	0	49	426.39	6	↓ MOL2 SDF SMILES Flexibase

41507235

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methoxy]chromen-4-one 3-(4-chlorophenyl)-7-[(2-methoxy…

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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)	5.86	11.6	-10.63	0	4	0	49	392.838	5	↓ MOL2 SDF SMILES Flexibase

41507238

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methoxy]-2-methyl-chromen-4-one 3-(4-chlorophenyl)-7-[(2-methoxy…

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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)	6.08	12.2	-10.09	0	4	0	49	406.865	5	↓ MOL2 SDF SMILES Flexibase

41507242

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-chlorophenyl)-7-[(2-methoxy…

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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)	6.99	12.46	-7.28	0	4	0	49	460.835	6	↓ MOL2 SDF SMILES Flexibase

41507246

Analogs

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Popular Name: 3-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]chromen-4-one 3-(4-methoxyphenyl)-7-[(2-methox…

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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)	5.23	10.37	-12.22	0	5	0	58	388.419	6	↓ MOL2 SDF SMILES Flexibase

41507250

Analogs

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Popular Name: 3-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2-methyl-chromen-4-one 3-(4-methoxyphenyl)-7-[(2-methox…

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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)	5.46	10.97	-11.49	0	5	0	58	402.446	6	↓ MOL2 SDF SMILES Flexibase

41507254

Analogs

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Popular Name: 3-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-methoxyphenyl)-7-[(2-methox…

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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)	6.37	11.23	-8.89	0	5	0	58	456.416	7	↓ MOL2 SDF SMILES Flexibase

41507258

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-7-[(2-methoxyphenyl)methoxy]chromen-4-one 3-(3,4-dimethoxyphenyl)-7-[(2-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)	4.82	10.29	-14.1	0	6	0	67	418.445	7	↓ MOL2 SDF SMILES Flexibase

41507262

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2-methyl-chromen-4-one 3-(3,4-dimethoxyphenyl)-7-[(2-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)	5.05	10.89	-14.31	0	6	0	67	432.472	7	↓ MOL2 SDF SMILES Flexibase

41507265

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(3,4-dimethoxyphenyl)-7-[(2-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)	5.96	11.14	-11.1	0	6	0	67	486.442	8	↓ MOL2 SDF SMILES Flexibase

41507269

Analogs

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Popular Name: 3-(4-bromophenyl)-7-[(2-methoxyphenyl)methoxy]chromen-4-one 3-(4-bromophenyl)-7-[(2-methoxyp…

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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)	5.99	11.71	-10.58	0	4	0	49	437.289	5	↓ MOL2 SDF SMILES Flexibase

41507273

Analogs

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Popular Name: 3-(4-bromophenyl)-7-[(2-methoxyphenyl)methoxy]-2-methyl-chromen-4-one 3-(4-bromophenyl)-7-[(2-methoxyp…

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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)	6.21	12.32	-10.05	0	4	0	49	451.316	5	↓ MOL2 SDF SMILES Flexibase

41507277

Analogs

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Popular Name: 3-(4-bromophenyl)-7-[(2-methoxyphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-bromophenyl)-7-[(2-methoxyp…

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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)	7.12	12.56	-7.26	0	4	0	49	505.286	6	↓ MOL2 SDF SMILES Flexibase

41509280

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(2-methoxyphenyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.41	11.01	-13.31	0	4	0	49	394.373	5	↓ MOL2 SDF SMILES Flexibase

41509284

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(2-methoxyphenyl)-2-methyl-chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.63	11.67	-14.18	0	4	0	49	408.4	5	↓ MOL2 SDF SMILES Flexibase

41509288

Analogs

1915174

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	6.54	11.86	-11.46	0	4	0	49	462.37	6	↓ MOL2 SDF SMILES Flexibase

41509292

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-phenyl-chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.40	11.7	-11.87	0	3	0	39	364.347	4	↓ MOL2 SDF SMILES Flexibase

41509296

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-2-methyl-3-phenyl-chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.62	12.29	-11.85	0	3	0	39	378.374	4	↓ MOL2 SDF SMILES Flexibase

41509298

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	6.53	12.54	-8.99	0	3	0	39	432.344	5	↓ MOL2 SDF SMILES Flexibase

41509301

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(2,6-difluorophenyl)methoxy]chromen-4-one 3-(4-chlorophenyl)-7-[(2,6-diflu…

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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)	6.08	12.21	-11.43	0	3	0	39	398.792	4	↓ MOL2 SDF SMILES Flexibase

41509305

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(2,6-difluorophenyl)methoxy]-2-methyl-chromen-4-one 3-(4-chlorophenyl)-7-[(2,6-diflu…

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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)	6.30	12.8	-10.95	0	3	0	39	412.819	4	↓ MOL2 SDF SMILES Flexibase

41509309

Analogs

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Popular Name: 3-(4-chlorophenyl)-7-[(2,6-difluorophenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-chlorophenyl)-7-[(2,6-diflu…

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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)	7.21	13.06	-8.07	0	3	0	39	466.789	5	↓ MOL2 SDF SMILES Flexibase

41509313

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(4-methoxyphenyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.46	10.98	-13.01	0	4	0	49	394.373	5	↓ MOL2 SDF SMILES Flexibase

41509317

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methyl-chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.68	11.57	-12.38	0	4	0	49	408.4	5	↓ MOL2 SDF SMILES Flexibase

41509322

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	6.59	11.83	-9.67	0	4	0	49	462.37	6	↓ MOL2 SDF SMILES Flexibase

41509326

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.05	10.89	-14.87	0	5	0	58	424.399	6	↓ MOL2 SDF SMILES Flexibase

41509330

Analogs

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Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-methyl-chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	5.27	11.49	-15.15	0	5	0	58	438.426	6	↓ MOL2 SDF SMILES Flexibase

41509334

Analogs

1915177

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-difluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)chromen-4-one 7-[(2,6-difluorophenyl)methoxy]-…

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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)	6.18	11.74	-11.88	0	5	0	58	492.396	7	↓ MOL2 SDF SMILES Flexibase

41509339

Analogs

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Popular Name: 3-(4-bromophenyl)-7-[(2,6-difluorophenyl)methoxy]chromen-4-one 3-(4-bromophenyl)-7-[(2,6-difluo…

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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)	6.21	12.31	-11.32	0	3	0	39	443.243	4	↓ MOL2 SDF SMILES Flexibase

41509343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-7-[(2,6-difluorophenyl)methoxy]-2-methyl-chromen-4-one 3-(4-bromophenyl)-7-[(2,6-difluo…

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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)	6.43	12.92	-10.91	0	3	0	39	457.27	4	↓ MOL2 SDF SMILES Flexibase

41509346

Analogs

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Popular Name: 3-(4-bromophenyl)-7-[(2,6-difluorophenyl)methoxy]-2-(trifluoromethyl)chromen-4-one 3-(4-bromophenyl)-7-[(2,6-difluo…

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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)	7.34	13.16	-8.04	0	3	0	39	511.24	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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