ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6051408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.79	9.84	-33.51	1	9	0	124	384.344	7	↓ MOL2 SDF SMILES Flexibase

18963616

Analogs

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Popular Name: 3-chloro-4-[(6,7-dimethyl-2-oxo-chromen-4-yl)methoxy]benzonitrile 3-chloro-4-[(6,7-dimethyl-2-oxo-…

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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)	4.76	11.48	-19.1	0	4	0	63	339.778	3	↓ MOL2 SDF SMILES Flexibase

18963642

Analogs

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Popular Name: 4-[(7-bromo-2-oxo-chromen-4-yl)methoxy]-3-chloro-benzonitrile 4-[(7-bromo-2-oxo-chromen-4-yl)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)	4.74	10.89	-19.58	0	4	0	63	390.62	3	↓ MOL2 SDF SMILES Flexibase

20896988

Analogs

3516848

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,6-dichlorophenoxy)methyl]-7-methyl-chromen-2-one 4-[(2,6-dichlorophenoxy)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)	5.28	11.24	-12.63	0	3	0	39	335.186	3	↓ MOL2 SDF SMILES Flexibase

13410117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(7-methyl-2-oxo-chromen-4-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)	3.96	10.3	-74.3	0	5	-1	80	309.297	4	↓ MOL2 SDF SMILES Flexibase

13410121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(7-methoxy-2-oxo-chromen-4-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)	3.57	8.94	-75.38	0	6	-1	89	325.296	5	↓ MOL2 SDF SMILES Flexibase

13410141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(6-chloro-7-methyl-2-oxo-chro…

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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)	4.57	10.73	-68.81	0	5	-1	80	343.742	4	↓ MOL2 SDF SMILES Flexibase

13410246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(6-isopropyl-7-methyl-2-oxo-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)	4.93	12.07	-72.22	0	5	-1	80	351.378	5	↓ MOL2 SDF SMILES Flexibase

13410258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(7-ethyl-2-oxo-chromen-4-yl)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)	4.43	11.06	-73.83	0	5	-1	80	323.324	5	↓ MOL2 SDF SMILES Flexibase

13410290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(7,8-dimethyl-2-oxo-chromen-4…

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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)	4.34	10.82	-74.69	0	5	-1	80	323.324	4	↓ MOL2 SDF SMILES Flexibase

13410361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(6,7-dimethyl-2-oxo-chromen-4…

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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)	4.34	10.83	-73.49	0	5	-1	80	323.324	4	↓ MOL2 SDF SMILES Flexibase

13410833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-bromo-2-oxo-chromen-4-yl)methoxy]benzoic 2-[(7-bromo-2-oxo-chromen-4-yl)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)	4.32	10.25	-70.98	0	5	-1	80	374.166	4	↓ MOL2 SDF SMILES Flexibase

13412709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(7-methyl-2-oxo-chromen-4-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)	3.93	9.64	-57.26	0	5	-1	80	309.297	4	↓ MOL2 SDF SMILES Flexibase

13412711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(7-methoxy-2-oxo-chromen-4-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)	3.54	8.28	-58.52	0	6	-1	89	325.296	5	↓ MOL2 SDF SMILES Flexibase

13412770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(6-isopropyl-7-methyl-2-oxo-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)	4.90	11.42	-55.77	0	5	-1	80	351.378	5	↓ MOL2 SDF SMILES Flexibase

13412779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7-ethyl-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(7-ethyl-2-oxo-chromen-4-yl)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)	4.39	10.4	-56.88	0	5	-1	80	323.324	5	↓ MOL2 SDF SMILES Flexibase

13412801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(7,8-dimethyl-2-oxo-chromen-4…

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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)	4.31	10.14	-57.44	0	5	-1	80	323.324	4	↓ MOL2 SDF SMILES Flexibase

13412827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6,7-dimethyl-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(6,7-dimethyl-2-oxo-chromen-4…

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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)	4.31	10.18	-56.71	0	5	-1	80	323.324	4	↓ MOL2 SDF SMILES Flexibase

13413068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7-bromo-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(7-bromo-2-oxo-chromen-4-yl)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)	4.29	9.59	-56.13	0	5	-1	80	374.166	4	↓ MOL2 SDF SMILES Flexibase

13418632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 4-[(6-chloro-7-methyl-2-oxo-chro…

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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)	4.54	10.07	-54.91	0	5	-1	80	343.742	4	↓ MOL2 SDF SMILES Flexibase

13418900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(7-methyl-2-oxo-chromen-4-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)	3.91	9.62	-65.12	0	5	-1	80	309.297	4	↓ MOL2 SDF SMILES Flexibase

13418901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(7-methoxy-2-oxo-chromen-4-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	8.26	-66.73	0	6	-1	89	325.296	5	↓ MOL2 SDF SMILES Flexibase

13418905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(6-chloro-7-methyl-2-oxo-chro…

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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	10.06	-61.18	0	5	-1	80	343.742	4	↓ MOL2 SDF SMILES Flexibase

13418933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(6-isopropyl-7-methyl-2-oxo-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)	4.87	11.4	-63.15	0	5	-1	80	351.378	5	↓ MOL2 SDF SMILES Flexibase

13418936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(7-ethyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(7-ethyl-2-oxo-chromen-4-yl)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)	4.37	10.39	-64.8	0	5	-1	80	323.324	5	↓ MOL2 SDF SMILES Flexibase

13418944

Analogs

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Popular Name: 3-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(7,8-dimethyl-2-oxo-chromen-4…

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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)	4.28	10.15	-65.31	0	5	-1	80	323.324	4	↓ MOL2 SDF SMILES Flexibase

13418959

Analogs

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Popular Name: 3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(6,7-dimethyl-2-oxo-chromen-4…

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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)	4.28	10.16	-64.38	0	5	-1	80	323.324	4	↓ MOL2 SDF SMILES Flexibase

13419070

Analogs

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Popular Name: 3-[(7-bromo-2-oxo-chromen-4-yl)methoxy]benzoic 3-[(7-bromo-2-oxo-chromen-4-yl)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)	4.26	9.57	-63.58	0	5	-1	80	374.166	4	↓ MOL2 SDF SMILES Flexibase

13419872

Analogs

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Popular Name: 3-methoxy-4-[(7-methyl-2-oxo-chromen-4-yl)methoxy]benzoic 3-methoxy-4-[(7-methyl-2-oxo-chr…

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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)	3.52	9.49	-58.02	0	6	-1	89	339.323	5	↓ MOL2 SDF SMILES Flexibase

13419873

Analogs

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Popular Name: 3-methoxy-4-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]benzoic 3-methoxy-4-[(7-methoxy-2-oxo-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)	3.13	8.13	-59.2	0	7	-1	98	355.322	6	↓ MOL2 SDF SMILES Flexibase

13419881

Analogs

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Popular Name: 4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methoxy]-3-methoxy-benzoic 4-[(6-chloro-7-methyl-2-oxo-chro…

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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)	4.13	9.93	-55.31	0	6	-1	89	373.768	5	↓ MOL2 SDF SMILES Flexibase

13419911

Analogs

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Popular Name: 4-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methoxy]-3-methoxy-benzoic 4-[(6-isopropyl-7-methyl-2-oxo-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)	4.49	11.27	-56.46	0	6	-1	89	381.404	6	↓ MOL2 SDF SMILES Flexibase

13419915

Analogs

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Popular Name: 4-[(7-ethyl-2-oxo-chromen-4-yl)methoxy]-3-methoxy-benzoic 4-[(7-ethyl-2-oxo-chromen-4-yl)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)	3.99	10.26	-57.7	0	6	-1	89	353.35	6	↓ MOL2 SDF SMILES Flexibase

13419923

Analogs

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Popular Name: 4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]-3-methoxy-benzoic 4-[(7,8-dimethyl-2-oxo-chromen-4…

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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)	3.90	10.02	-58.18	0	6	-1	89	353.35	5	↓ MOL2 SDF SMILES Flexibase

13419946

Analogs

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Popular Name: 4-[(6,7-dimethyl-2-oxo-chromen-4-yl)methoxy]-3-methoxy-benzoic 4-[(6,7-dimethyl-2-oxo-chromen-4…

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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)	3.90	10.03	-57.35	0	6	-1	89	353.35	5	↓ MOL2 SDF SMILES Flexibase

13420083

Analogs

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Popular Name: 4-[(7-bromo-2-oxo-chromen-4-yl)methoxy]-3-methoxy-benzoic 4-[(7-bromo-2-oxo-chromen-4-yl)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)	3.88	9.44	-56.62	0	6	-1	89	404.192	5	↓ MOL2 SDF SMILES Flexibase

13421014

Analogs

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Popular Name: 2-[4-[(7-methyl-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(7-methyl-2-oxo-chromen-4-…

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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)	3.44	10.43	-55.05	0	5	-1	80	323.324	5	↓ MOL2 SDF SMILES Flexibase

13421015

Analogs

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Popular Name: 2-[4-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(7-methoxy-2-oxo-chromen-4…

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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)	3.05	9.07	-56.14	0	6	-1	89	339.323	6	↓ MOL2 SDF SMILES Flexibase

13421020

Analogs

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Popular Name: 2-[4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(6-chloro-7-methyl-2-oxo-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)	4.05	10.87	-52.46	0	5	-1	80	357.769	5	↓ MOL2 SDF SMILES Flexibase

13421048

Analogs

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Popular Name: 2-[4-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(6-isopropyl-7-methyl-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)	4.41	12.21	-53.69	0	5	-1	80	365.405	6	↓ MOL2 SDF SMILES Flexibase

13421052

Analogs

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Popular Name: 2-[4-[(7-ethyl-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(7-ethyl-2-oxo-chromen-4-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)	3.91	11.2	-54.74	0	5	-1	80	337.351	6	↓ MOL2 SDF SMILES Flexibase

13421060

Analogs

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Popular Name: 2-[4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(7,8-dimethyl-2-oxo-chrome…

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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)	3.82	10.93	-55.31	0	5	-1	80	337.351	5	↓ MOL2 SDF SMILES Flexibase

13421079

Analogs

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Popular Name: 2-[4-[(6,7-dimethyl-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(6,7-dimethyl-2-oxo-chrome…

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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)	3.82	10.97	-54.59	0	5	-1	80	337.351	5	↓ MOL2 SDF SMILES Flexibase

13421205

Analogs

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Popular Name: 2-[4-[(7-bromo-2-oxo-chromen-4-yl)methoxy]phenyl]acetic 2-[4-[(7-bromo-2-oxo-chromen-4-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)	3.80	10.38	-53.56	0	5	-1	80	388.193	5	↓ MOL2 SDF SMILES Flexibase

13422138

Analogs

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Popular Name: 4-[(7-methyl-2-oxo-chromen-4-yl)methoxy]benzene-1,3-dicarboxylic 4-[(7-methyl-2-oxo-chromen-4-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)	3.85	9.92	-131.09	0	7	-2	120	352.298	5	↓ MOL2 SDF SMILES Flexibase

13422139

Analogs

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Popular Name: 4-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]benzene-1,3-dicarboxylic 4-[(7-methoxy-2-oxo-chromen-4-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)	3.46	8.56	-131.67	0	8	-2	129	368.297	6	↓ MOL2 SDF SMILES Flexibase

13422147

Analogs

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Popular Name: 4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methoxy]benzene-1,3-dicarboxylic 4-[(6-chloro-7-methyl-2-oxo-chro…

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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	10.34	-126.46	0	7	-2	120	386.743	5	↓ MOL2 SDF SMILES Flexibase

13422177

Analogs

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Popular Name: 4-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methoxy]benzene-1,3-dicarboxylic 4-[(6-isopropyl-7-methyl-2-oxo-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)	4.82	11.68	-129.25	0	7	-2	120	394.379	6	↓ MOL2 SDF SMILES Flexibase

13422181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7-ethyl-2-oxo-chromen-4-yl)methoxy]benzene-1,3-dicarboxylic 4-[(7-ethyl-2-oxo-chromen-4-yl)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)	4.32	10.68	-130.65	0	7	-2	120	366.325	6	↓ MOL2 SDF SMILES Flexibase

13422189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]benzene-1,3-dicarboxylic 4-[(7,8-dimethyl-2-oxo-chromen-4…

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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	10.44	-131.6	0	7	-2	120	366.325	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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