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ZINC Item

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62993091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2 (2Z)-2-[[4-(diethylamino)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)	3.60	7.3	-57.65	1	7	0	81	483.61	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.60	7.2	-18.82	0	7	0	80	482.602	5	↓ MOL2 SDF SMILES Flexibase

62993092

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2 (2Z)-2-[[4-(diethylamino)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)	3.60	7.62	-59.28	1	7	0	81	483.61	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.60	7.52	-19.37	0	7	0	80	482.602	5	↓ MOL2 SDF SMILES Flexibase

62993131

Analogs

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Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-7,9-dihydrofuro[2,3-f][1,3 (2E)-2-[[4-(diethylamino)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)	3.22	6.52	-49.16	1	7	0	81	469.583	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.22	6.4	-19.08	0	7	0	80	468.575	5	↓ MOL2 SDF SMILES Flexibase

62993132

Analogs

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Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-7,9-dihydrofuro[2,3-f][1,3 (2E)-2-[[4-(diethylamino)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)	3.22	6.83	-49.37	1	7	0	81	469.583	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.22	6.72	-19.39	0	7	0	80	468.575	5	↓ MOL2 SDF SMILES Flexibase

41644295

Analogs

12442608
12442610

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(3R)-1,1-dioxothiolan-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)	3.19	5.58	-18.1	0	6	0	77	425.506	2	↓ MOL2 SDF SMILES Flexibase

41644298

Analogs

12442608
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[(3S)-1,1-dioxothiolan-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)	3.19	5.9	-18.55	0	6	0	77	425.506	2	↓ MOL2 SDF SMILES Flexibase

41644411

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.91	4.99	-18.39	0	6	0	77	429.469	2	↓ MOL2 SDF SMILES Flexibase

41644414

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.91	5.3	-18.64	0	6	0	77	429.469	2	↓ MOL2 SDF SMILES Flexibase

41644529

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-2-[(4-chlorophenyl)methylen…

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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)	3.42	5.42	-17.87	0	6	0	77	445.924	2	↓ MOL2 SDF SMILES Flexibase

41644532

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-2-[(4-chlorophenyl)methylen…

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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)	3.42	5.74	-18.23	0	6	0	77	445.924	2	↓ MOL2 SDF SMILES Flexibase

41644638

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-2-[(2,4-dichlorophenyl)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)	4.03	5.85	-17.54	0	6	0	77	480.369	2	↓ MOL2 SDF SMILES Flexibase

41644641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-2-[(2,4-dichlorophenyl)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)	4.03	6.17	-18	0	6	0	77	480.369	2	↓ MOL2 SDF SMILES Flexibase

41644754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-2-[(2-chlorophenyl)methylen…

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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)	3.37	5.34	-18.76	0	6	0	77	445.924	2	↓ MOL2 SDF SMILES Flexibase

41644757

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-2-[(2-chlorophenyl)methylen…

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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)	3.37	5.65	-19.45	0	6	0	77	445.924	2	↓ MOL2 SDF SMILES Flexibase

41644871

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.86	4.95	-19.41	0	6	0	77	429.469	2	↓ MOL2 SDF SMILES Flexibase

41644874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.86	5.27	-20.11	0	6	0	77	429.469	2	↓ MOL2 SDF SMILES Flexibase

41644986

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.75	4.26	-19.85	0	7	0	86	441.505	3	↓ MOL2 SDF SMILES Flexibase

41644989

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.75	4.58	-20.39	0	7	0	86	441.505	3	↓ MOL2 SDF SMILES Flexibase

41645328

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	4.14	-21.52	0	8	0	95	471.531	4	↓ MOL2 SDF SMILES Flexibase

41645331

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	4.46	-22.02	0	8	0	95	471.531	4	↓ MOL2 SDF SMILES Flexibase

41645417

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.38	4.05	-23.28	0	9	0	105	501.557	5	↓ MOL2 SDF SMILES Flexibase

41645419

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.38	4.35	-23.21	0	9	0	105	501.557	5	↓ MOL2 SDF SMILES Flexibase

41645533

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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)	3.49	5.4	-19.18	0	6	0	77	463.914	2	↓ MOL2 SDF SMILES Flexibase

41645536

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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)	3.49	5.72	-19.61	0	6	0	77	463.914	2	↓ MOL2 SDF SMILES Flexibase

41645647

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(2,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	3.55	-20.64	0	8	0	95	471.531	4	↓ MOL2 SDF SMILES Flexibase

41645650

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(2,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	3.87	-21.27	0	8	0	95	471.531	4	↓ MOL2 SDF SMILES Flexibase

41645761

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(2,5-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	3.55	-19.83	0	8	0	95	471.531	4	↓ MOL2 SDF SMILES Flexibase

41645763

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3- (2Z)-2-[(2,5-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	3.87	-20.1	0	8	0	95	471.531	4	↓ MOL2 SDF SMILES Flexibase

41645876

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-isopropylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-[(3R)-1,1-dioxothiolan-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)	4.26	6.82	-17.73	0	6	0	77	453.56	3	↓ MOL2 SDF SMILES Flexibase

41645878

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-isopropylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-[(3S)-1,1-dioxothiolan-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)	4.26	7.14	-18.1	0	6	0	77	453.56	3	↓ MOL2 SDF SMILES Flexibase

41645988

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.68	5.62	-22.37	0	9	0	123	456.476	3	↓ MOL2 SDF SMILES Flexibase

41645991

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3 (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.68	5.94	-23	0	9	0	123	456.476	3	↓ MOL2 SDF SMILES Flexibase

41646100

Analogs

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Popular Name: methyl 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)	2.91	5.55	-21.06	0	8	0	103	469.515	4	↓ MOL2 SDF SMILES Flexibase

41646103

Analogs

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Popular Name: methyl 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)	2.91	5.86	-21.49	0	8	0	103	469.515	4	↓ MOL2 SDF SMILES Flexibase

41646206

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-2-[(2,6-dichlorophenyl)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)	4.00	5.79	-18.26	0	6	0	77	480.369	2	↓ MOL2 SDF SMILES Flexibase

41646209

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f (2Z)-2-[(2,6-dichlorophenyl)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)	4.00	6.1	-18.75	0	6	0	77	480.369	2	↓ MOL2 SDF SMILES Flexibase

41646325

Analogs

12442608
12442610

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3R)-1,1-dioxothiolan-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)	3.18	5.14	-19.21	0	7	0	86	455.532	4	↓ MOL2 SDF SMILES Flexibase

41646328

Analogs

12442608
12442610

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3S)-1,1-dioxothiolan-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)	3.18	5.46	-19.78	0	7	0	86	455.532	4	↓ MOL2 SDF SMILES Flexibase

41646444

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3R)-1,1-dioxothiolan-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)	3.13	5.21	-19.58	0	7	0	86	455.532	4	↓ MOL2 SDF SMILES Flexibase

41646447

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1, (2Z)-8-[(3S)-1,1-dioxothiolan-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)	3.13	5.53	-20.16	0	7	0	86	455.532	4	↓ MOL2 SDF SMILES Flexibase

41646787

Analogs

12442608
12442610

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.78	4.2	-18.85	0	7	0	86	441.505	3	↓ MOL2 SDF SMILES Flexibase

41646790

Analogs

12442608
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1 (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.78	4.52	-19	0	7	0	86	441.505	3	↓ MOL2 SDF SMILES Flexibase

41646904

Analogs

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Popular Name: (2Z)-2-benzylidene-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-benzylidene-8-[(3R)-1,1-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	4.9	-18.17	0	6	0	77	411.479	2	↓ MOL2 SDF SMILES Flexibase

41646907

Analogs

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Popular Name: (2Z)-2-benzylidene-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-benzylidene-8-[(3S)-1,1-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	5.22	-18.62	0	6	0	77	411.479	2	↓ MOL2 SDF SMILES Flexibase

41647007

Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-[(3R)-1,1-dioxothiolan-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)	2.38	3.45	-22.85	0	9	0	105	501.557	5	↓ MOL2 SDF SMILES Flexibase

41647010

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2 (2Z)-8-[(3S)-1,1-dioxothiolan-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)	2.38	3.82	-22.81	0	9	0	105	501.557	5	↓ MOL2 SDF SMILES Flexibase

41647091

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro (2Z)-2-[(5-bromo-2-methoxy-pheny…

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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	4.88	-18.41	0	7	0	86	520.401	3	↓ MOL2 SDF SMILES Flexibase

41647094

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro (2Z)-2-[(5-bromo-2-methoxy-pheny…

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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	5.2	-18.43	0	7	0	86	520.401	3	↓ MOL2 SDF SMILES Flexibase

41647187

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (2Z)-2-[(2-bromophenyl)methylene…

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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)	3.50	5.42	-18.76	0	6	0	77	490.375	2	↓ MOL2 SDF SMILES Flexibase

41647190

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3 (2Z)-2-[(2-bromophenyl)methylene…

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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)	3.50	5.73	-19.36	0	6	0	77	490.375	2	↓ MOL2 SDF SMILES Flexibase

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