ZINC 12

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	12.64	-57.58	2	6	1	73	423.533	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.35	10.66	-21.14	1	6	0	72	422.525	8	↓ MOL2 SDF SMILES Flexibase

22754403

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-3-methyl-butyl]-4-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzamide N-[(2R)-2-dimethylamino-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)	4.35	12.65	-58.87	2	6	1	73	423.533	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.35	10.65	-21.05	1	6	0	72	422.525	8	↓ MOL2 SDF SMILES Flexibase

949209

Analogs

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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)	5.75	5.23	-14.33	0	3	0	39	362.347	6	↓ MOL2 SDF SMILES Flexibase

1789750

Analogs

40166123
40166124

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Popular Name: 4-methyl-7-(4-methylbenzyl)oxy-6-nitro-coumarin 4-methyl-7-(4-methylbenzyl)oxy-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)	4.35	4.06	-12.45	0	6	0	85	325.32	4	↓ MOL2 SDF SMILES Flexibase

1789752

Analogs

40166123
40166124

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Popular Name: 4-methyl-7-(2-methylbenzyl)oxy-6-nitro-coumarin 4-methyl-7-(2-methylbenzyl)oxy-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)	4.30	4.06	-12.21	0	6	0	85	325.32	4	↓ MOL2 SDF SMILES Flexibase

1789753

Analogs

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Popular Name: 7-(2-chloro-6-fluoro-benzyl)oxy-4-methyl-6-nitro-coumarin 7-(2-chloro-6-fluoro-benzyl)oxy-…

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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	4.28	-13.05	0	6	0	85	363.728	4	↓ MOL2 SDF SMILES Flexibase

1789754

Analogs

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Popular Name: 7-(2,6-dichlorobenzyl)oxy-4-methyl-6-nitro-coumarin 7-(2,6-dichlorobenzyl)oxy-4-meth…

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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)	5.17	3.43	-12.4	0	6	0	85	380.183	4	↓ MOL2 SDF SMILES Flexibase

1789756

Analogs

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Popular Name: 7-(2,4-dichlorobenzyl)oxy-4-methyl-6-nitro-coumarin 7-(2,4-dichlorobenzyl)oxy-4-meth…

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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	3.48	-10.42	0	6	0	85	380.183	4	↓ MOL2 SDF SMILES Flexibase

1789758

Analogs

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Popular Name: 7-(4-bromobenzyl)oxy-4-methyl-6-nitro-coumarin 7-(4-bromobenzyl)oxy-4-methyl-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)	4.71	2.98	-12.77	0	6	0	85	390.189	4	↓ MOL2 SDF SMILES Flexibase

14014334

Analogs

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Popular Name: 7-[[2-(difluoromethoxy)phenyl]methoxy]chromen-2-one 7-[[2-(difluoromethoxy)phenyl]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)	4.21	9.02	-15.75	0	4	0	49	318.275	5	↓ MOL2 SDF SMILES Flexibase

2091003

Analogs

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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)	6.07	3.1	-10.76	0	4	0	48	372.848	7	↓ MOL2 SDF SMILES Flexibase

2091027

Analogs

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Popular Name: 2-(2-keto-7-m-anisyloxy-4,8-dimethyl-chromen-3-yl)acetate 2-(2-keto-7-m-anisyloxy-4,8-dime…

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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)	3.78	2.97	-63.11	0	6	-1	88	367.377	6	↓ MOL2 SDF SMILES Flexibase

2091518

Analogs

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Popular Name: 3-[7-(4-bromobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionate 3-[7-(4-bromobenzyl)oxy-2-keto-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)	5.07	2.27	-60.04	0	5	-1	79	430.274	6	↓ MOL2 SDF SMILES Flexibase

2091533

Analogs

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Popular Name: 3-[7-(4-tert-butylbenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic-acid-ethyl-ester 3-[7-(4-tert-butylbenzyl)oxy-2-k…

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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)	6.66	5.66	-16.31	0	5	0	65	436.548	9	↓ MOL2 SDF SMILES Flexibase

2091546

Analogs

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Popular Name: 2-(2-keto-7-m-anisyloxy-4-methyl-chromen-3-yl)acetate 2-(2-keto-7-m-anisyloxy-4-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	2.59	-62.79	0	6	-1	88	353.35	6	↓ MOL2 SDF SMILES Flexibase

2091635

Analogs

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Popular Name: 2-[7-(3,5-dimethylbenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]acetic-acid-methyl-ester 2-[7-(3,5-dimethylbenzyl)oxy-2-k…

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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	5.1	-18.01	0	5	0	65	380.44	6	↓ MOL2 SDF SMILES Flexibase

2091796

Analogs

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Popular Name: 3-[7-(4-fluorobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionate 3-[7-(4-fluorobenzyl)oxy-2-keto-…

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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	3.77	-60.67	0	5	-1	79	369.368	6	↓ MOL2 SDF SMILES Flexibase

2091864

Analogs

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Popular Name: 2-[7-(3,5-dimethylbenzyl)oxy-2-keto-4-methyl-chromen-3-yl]acetic-acid-methyl-ester 2-[7-(3,5-dimethylbenzyl)oxy-2-k…

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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	4.65	-18.54	0	5	0	65	366.413	6	↓ MOL2 SDF SMILES Flexibase

2091900

Analogs

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Popular Name: 2-[7-(2,4-difluorobenzyl)oxy-2-keto-4-methyl-chromen-3-yl]acetic-acid-methyl-ester 2-[7-(2,4-difluorobenzyl)oxy-2-k…

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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)	4.24	5.65	-17.02	0	5	0	65	374.339	6	↓ MOL2 SDF SMILES Flexibase

2091968

Analogs

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Popular Name: 2-[2-keto-4,8-dimethyl-7-(4-vinylbenzyl)oxy-chromen-3-yl]acetic-acid-methyl-ester 2-[2-keto-4,8-dimethyl-7-(4-viny…

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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)	5.21	5.24	-18.44	0	5	0	65	378.424	7	↓ MOL2 SDF SMILES Flexibase

2092110

Analogs

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Popular Name: 2-[7-(4-bromobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]acetate 2-[7-(4-bromobenzyl)oxy-2-keto-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)	4.56	2.19	-61.48	0	5	-1	79	416.247	5	↓ MOL2 SDF SMILES Flexibase

2092165

Analogs

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Popular Name: 3-[7-(3-fluorobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic-acid-ethyl-ester 3-[7-(3-fluorobenzyl)oxy-2-keto-…

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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)	5.09	5.25	-18.11	0	5	0	65	398.43	8	↓ MOL2 SDF SMILES Flexibase

2092233

Analogs

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Popular Name: 3-[7-(2-fluorobenzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionic-acid-ethyl-ester 3-[7-(2-fluorobenzyl)oxy-2-keto-…

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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	4.96	-15.65	0	5	0	65	384.403	8	↓ MOL2 SDF SMILES Flexibase

2092262

Analogs

2148811

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Popular Name: 2-[2-keto-4-methyl-7-(2,3,4,5,6-pentamethylbenzyl)oxy-chromen-3-yl]acetate 2-[2-keto-4-methyl-7-(2,3,4,5,6-…

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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)	5.33	3.79	-62.13	0	5	-1	79	393.459	5	↓ MOL2 SDF SMILES Flexibase

2092317

Analogs

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Popular Name: 2-[7-(3-bromobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]acetic-acid-methyl-ester 2-[7-(3-bromobenzyl)oxy-2-keto-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)	5.15	3.7	-18.88	0	5	0	66	431.282	6	↓ MOL2 SDF SMILES Flexibase

2092427

Analogs

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Popular Name: 2-[7-(3,4-dichlorobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]acetate 2-[7-(3,4-dichlorobenzyl)oxy-2-k…

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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)	5.03	2.67	-62.44	0	5	-1	79	406.241	5	↓ MOL2 SDF SMILES Flexibase

2092716

Analogs

4046686

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Popular Name: 3-[7-(2,5-dimethylbenzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionate 3-[7-(2,5-dimethylbenzyl)oxy-2-k…

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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)	4.71	3.34	-60.16	0	5	-1	79	365.405	6	↓ MOL2 SDF SMILES Flexibase

2092720

Analogs

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Popular Name: 3-[7-(2-chloro-6-fluoro-benzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionate 3-[7-(2-chloro-6-fluoro-benzyl)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)	4.63	3.19	-60.07	0	5	-1	79	389.786	6	↓ MOL2 SDF SMILES Flexibase

2092751

Analogs

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Popular Name: 3-(7-benzoxy-2-keto-4,8-dimethyl-chromen-3-yl)propionic-acid-ethyl-ester 3-(7-benzoxy-2-keto-4,8-dimethyl…

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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)	4.95	4.51	-16.65	0	5	0	65	380.44	8	↓ MOL2 SDF SMILES Flexibase

2092767

Analogs

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Popular Name: 4-[[2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-7-yl]oxymethyl]benzoic-acid-methyl-ester 4-[[2-keto-3-(2-keto-2-methoxy-e…

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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)	4.16	5.14	-23.18	0	7	0	92	396.395	8	↓ MOL2 SDF SMILES Flexibase

2092790

Analogs

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Popular Name: 3-[7-(4-bromo-2-fluoro-benzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionate 3-[7-(4-bromo-2-fluoro-benzyl)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)	4.79	2.73	-57.95	0	5	-1	79	434.237	6	↓ MOL2 SDF SMILES Flexibase

2092835

Analogs

4046669

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Popular Name: 2-[2-keto-4,8-dimethyl-7-(4-methylbenzyl)oxy-chromen-3-yl]acetate 2-[2-keto-4,8-dimethyl-7-(4-meth…

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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)	4.20	3.27	-61.03	0	5	-1	79	351.378	5	↓ MOL2 SDF SMILES Flexibase

2092882

Analogs

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Popular Name: 3-[7-(3-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionate 3-[7-(3-chlorobenzyl)oxy-2-keto-…

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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)	4.92	2.89	-60.29	0	5	-1	79	385.823	6	↓ MOL2 SDF SMILES Flexibase

2092891

Analogs

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Popular Name: 4-[[2-keto-3-(3-keto-3-oxido-propyl)-4-methyl-chromen-7-yl]oxymethyl]benzoate 4-[[2-keto-3-(3-keto-3-oxido-pro…

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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	2.19	-112.96	0	7	-2	119	380.352	7	↓ MOL2 SDF SMILES Flexibase

2092928

Analogs

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Popular Name: 4-[[3-(3-ethoxy-3-keto-propyl)-2-keto-4-methyl-chromen-7-yl]oxymethyl]benzoic-acid-methyl-ester 4-[[3-(3-ethoxy-3-keto-propyl)-2…

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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	5.22	-21.68	0	7	0	92	424.449	10	↓ MOL2 SDF SMILES Flexibase

2092935

Analogs

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Popular Name: 3-[2-keto-4-methyl-7-(4-methylbenzyl)oxy-chromen-3-yl]propionic-acid-ethyl-ester 3-[2-keto-4-methyl-7-(4-methylbe…

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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)	5.02	4.41	-16.99	0	5	0	65	380.44	8	↓ MOL2 SDF SMILES Flexibase

2092988

Analogs

2150227

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Popular Name: 3-[2-keto-4,8-dimethyl-7-(4-methylbenzyl)oxy-chromen-3-yl]propionate 3-[2-keto-4,8-dimethyl-7-(4-meth…

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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)	4.71	3.36	-59.34	0	5	-1	79	365.405	6	↓ MOL2 SDF SMILES Flexibase

2093059

Analogs

2147505

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Popular Name: 3-[7-(3,5-dimethylbenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic-acid-ethyl-ester 3-[7-(3,5-dimethylbenzyl)oxy-2-k…

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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)	5.77	5.16	-16.67	0	5	0	65	408.494	8	↓ MOL2 SDF SMILES Flexibase

2093079

Analogs

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Popular Name: 3-[7-(4-fluorobenzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionic-acid-ethyl-ester 3-[7-(4-fluorobenzyl)oxy-2-keto-…

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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	4.82	-18.43	0	5	0	65	384.403	8	↓ MOL2 SDF SMILES Flexibase

2093149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-keto-4-methyl-7-[3-(trifluoromethyl)benzyl]oxy-chromen-3-yl]propionic-acid-ethyl-ester 3-[2-keto-4-methyl-7-[3-(trifluo…

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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)	5.44	6.3	-19.01	0	5	0	65	434.41	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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