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ZINC Item

Suppliers, Protomers, & Similar Substances

40024490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[2,4-bis(difluoromethoxy)phenyl]methylene]-4-hydroxy-indan-1-one (2E)-2-[[2,4-bis(difluoromethoxy…

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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)	4.66	5.94	-13.7	1	4	0	56	368.282	5	↓ MOL2 SDF SMILES Flexibase

40024491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-hydroxy-2-[(7-methoxybenzofuran-2-yl)methylene]indan-1-one (2Z)-4-hydroxy-2-[(7-methoxybenz…

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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)	4.08	7.95	-19.16	1	4	0	60	306.317	2	↓ MOL2 SDF SMILES Flexibase

13008150

Analogs

4477829

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(5-bromo-2-thienyl)methylene]indan-1-one (2E)-2-[(5-bromo-2-thienyl)methy…

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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	9.34	-7.03	0	1	0	17	305.196	1	↓ MOL2 SDF SMILES Flexibase

13282583

Analogs

33727197

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Indanone, 2-(3-pyridylmethylene)-; 2-(3-Picolylidene)-1-indanone; 2-(3-Pyridylmethylene)1-indanone; BRN 1529834; LS-81339; NSC 247999 1-Indanone, 2-(3-pyridylmethylen…

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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)	2.33	7.94	-10.18	0	2	0	30	221.259	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.33	8.22	-36.73	1	2	1	31	222.267	1	↓ MOL2 SDF SMILES Flexibase

62581102

Analogs

11549160

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylene]-4-hydroxy-indan-1-one (2E)-2-[(6-chloro-3,4-dihydro-2H…

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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	7.21	-10.76	1	4	0	56	342.778	1	↓ MOL2 SDF SMILES Flexibase

54801705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylene)indan-1-one (2E)-2-(2,3-dihydro-1,4-benzodio…

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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)	3.24	8.76	-11.99	0	3	0	36	278.307	1	↓ MOL2 SDF SMILES Flexibase

54895678

Analogs

7742259

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(Z)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]-N-(p-tolyl)acetamide N-[4-[(Z)-(1-oxoindan-2-ylidene)…

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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	13.2	-22.6	0	4	0	50	374.465	3	↓ MOL2 SDF SMILES Flexibase

54895681

Analogs

7742259

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(E)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]-N-(p-tolyl)acetamide N-[4-[(E)-(1-oxoindan-2-ylidene)…

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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	13.29	-14.4	0	4	0	50	374.465	3	↓ MOL2 SDF SMILES Flexibase

54895685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N-[4-[(Z)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]acetamide N-(4-chlorophenyl)-N-[4-[(Z)-(1-…

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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	12.5	-15.87	0	4	0	50	394.883	3	↓ MOL2 SDF SMILES Flexibase

54895688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N-[4-[(E)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]acetamide N-(4-chlorophenyl)-N-[4-[(E)-(1-…

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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	12.02	-11.91	0	4	0	50	394.883	3	↓ MOL2 SDF SMILES Flexibase

57737311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[1-(2-chloroethyl)pyrazol-4-yl]methylene]indan-1-one (2E)-2-[[1-(2-chloroethyl)pyrazo…

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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)	2.54	8.76	-11.87	0	3	0	35	272.735	3	↓ MOL2 SDF SMILES Flexibase

57932821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-bromo-4-fluoro-2-[(1-methylpyrazol-4-yl)methylene]indan-1-one (2Z)-6-bromo-4-fluoro-2-[(1-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)	2.82	8.15	-12.19	0	3	0	35	321.149	1	↓ MOL2 SDF SMILES Flexibase

58308630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylene]indan-1-one (2E)-5-methyl-2-[(2-methylpyrazo…

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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)	2.67	7.75	-10.5	0	3	0	35	238.29	1	↓ MOL2 SDF SMILES Flexibase

58538427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2-chloro-6,7-dimethoxy-3-quinolyl)methylene]-4-methyl-indan-1-one (2E)-2-[(2-chloro-6,7-dimethoxy-…

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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	10.2	-13.62	0	4	0	48	379.843	3	↓ MOL2 SDF SMILES Flexibase

58541356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2-chloro-8-methyl-3-quinolyl)methylene]-4-methyl-indan-1-one (2E)-2-[(2-chloro-8-methyl-3-qui…

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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)	5.32	11.79	-11.93	0	2	0	30	333.818	1	↓ MOL2 SDF SMILES Flexibase

1383459

Analogs

12954284

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-2-[(4-methylphenyl)methylene]-3-phenyl-1-indanone 7-fluoro-2-[(4-methylphenyl)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)	5.69	3.52	-12.01	0	1	0	17	328.386	2	↓ MOL2 SDF SMILES Flexibase

1383475

Analogs

12954291

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methylphenyl)methylene]-3-phenyl-1-indanone 2-[(4-methylphenyl)methylene]-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)	5.58	2.78	-8.95	0	1	0	17	310.396	2	↓ MOL2 SDF SMILES Flexibase

1383494

Analogs

33704888
33704889

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(dimethylamino)methylene]-7-(4-methoxyphenoxy)-3-phenyl-1-indanone 2-[(dimethylamino)methylene]-7-(…

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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)	4.75	3.17	-12.8	0	4	0	38	385.463	5	↓ MOL2 SDF SMILES Flexibase

1383496

Analogs

33704888
33704889

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(dimethylamino)methylene]-7-(4-methoxyphenoxy)-3-phenyl-1-indanone 2-[(dimethylamino)methylene]-7-(…

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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)	4.75	3.17	-12.88	0	4	0	38	385.463	5	↓ MOL2 SDF SMILES Flexibase

1386141

Analogs

8782175

Draw Identity 99% 90% 80% 70%

Popular Name: N-{2-[(E)-(4-chlorophenyl)methylidene]-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl}-2,2,2-trifluoroacetamide N-{2-[(E)-(4-chlorophenyl)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)	3.85	2.21	-9.84	1	5	0	64	425.79	5	↓ MOL2 SDF SMILES Flexibase

69130158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(7-methoxybenzofuran-2-yl)methylene]indan-1-one (2E)-2-[(7-methoxybenzofuran-2-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)	4.13	9.55	-11.13	0	3	0	39	290.318	2	↓ MOL2 SDF SMILES Flexibase

65585650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylene]indan-1-one (2E)-4-hydroxy-2-[(2-pyrrolidin-…

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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	8.16	-11.87	1	5	0	66	307.353	2	↓ MOL2 SDF SMILES Flexibase

69811614

Analogs

9954491
11335894
11336001

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-hydroxy-indan-1-one (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)	3.33	6.09	-12.94	1	4	0	56	296.322	3	↓ MOL2 SDF SMILES Flexibase

69840452

Analogs

11336004

Draw Identity 99% 90% 80% 70%

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)	3.85	7.49	-13.99	1	4	0	64	294.306	3	↓ MOL2 SDF SMILES Flexibase

69878549

Analogs

11335848

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(4-nitrophenyl)methylene]indan-1-one (2E)-4-hydroxy-2-[(4-nitrophenyl…

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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)	3.64	7.32	-12.27	1	5	0	83	281.267	2	↓ MOL2 SDF SMILES Flexibase

69878572

Analogs

11335973

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylene]indan-1-one (2Z)-4-hydroxy-2-[(2,4,5-trimeth…

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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	5.45	-13.33	1	5	0	65	326.348	4	↓ MOL2 SDF SMILES Flexibase

69878581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(E)-(4-hydroxy-1-oxo-indan-2-ylidene)methyl]benzonitrile 3-[(E)-(4-hydroxy-1-oxo-indan-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)	3.41	7.01	-12.86	1	3	0	61	261.28	1	↓ MOL2 SDF SMILES Flexibase

69894175

Analogs

11336322

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylene]-4-hydroxy-indan-1-one (2Z)-2-[[4-(difluoromethoxy)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	6.36	-15.17	1	4	0	56	332.302	4	↓ MOL2 SDF SMILES Flexibase

69895275

Analogs

11335912

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(Z)-(4-hydroxy-1-oxo-indan-2-ylidene)methyl]benzoic 4-[(Z)-(4-hydroxy-1-oxo-indan-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)	3.59	7.41	-59.85	1	4	-1	77	279.271	2	↓ MOL2 SDF SMILES Flexibase

69895276

Analogs

11335886

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(2-nitrophenyl)methylene]indan-1-one (2E)-4-hydroxy-2-[(2-nitrophenyl…

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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)	3.41	7.24	-15.55	1	5	0	83	281.267	2	↓ MOL2 SDF SMILES Flexibase

69900490

Analogs

11335844

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(3-nitrophenyl)methylene]indan-1-one (2E)-4-hydroxy-2-[(3-nitrophenyl…

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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)	3.62	7.31	-14.07	1	5	0	83	281.267	2	↓ MOL2 SDF SMILES Flexibase

48984821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(cyclopropylmethyl)-4-piperidylidene]indan-1-one 2-[1-(cyclopropylmethyl)-4-piper…

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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)	3.15	11.38	-43.35	1	2	1	22	268.38	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	9.19	-7.86	0	2	0	20	267.372	2	↓ MOL2 SDF SMILES Flexibase

48984826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-propanoyl-4-piperidylidene)indan-1-one 2-(1-propanoyl-4-piperidylidene)…

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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)	2.48	8.95	-11.31	0	3	0	37	269.344	1	↓ MOL2 SDF SMILES Flexibase

49371838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(4-chloro-3-fluoro-phenyl)methylene]indan-1-one (2E)-2-[(4-chloro-3-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)	4.51	10.03	-10.33	0	1	0	17	272.706	1	↓ MOL2 SDF SMILES Flexibase

49371839

Analogs

17042944

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Popular Name: (2E)-2-[(3,5-dimethylphenyl)methylene]indan-1-one (2E)-2-[(3,5-dimethylphenyl)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)	4.57	10.78	-8.85	0	1	0	17	248.325	1	↓ MOL2 SDF SMILES Flexibase

49371841

Analogs

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Popular Name: (2E)-2-[(3-chloro-4-hydroxy-phenyl)methylene]indan-1-one (2E)-2-[(3-chloro-4-hydroxy-phen…

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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	7.3	-9.78	1	2	0	37	270.715	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.13	8.07	-40.86	0	2	-1	40	269.707	1	↓ MOL2 SDF SMILES Flexibase

49372120

Analogs

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Popular Name: (2Z)-4-chloro-2-[(5-nitro-3-thienyl)methylene]indan-1-one (2Z)-4-chloro-2-[(5-nitro-3-thie…

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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)	3.86	10.17	-8.4	0	4	0	63	305.742	2	↓ MOL2 SDF SMILES Flexibase

49372123

Analogs

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Popular Name: (2Z)-4-chloro-2-[(3-chloro-4-hydroxy-phenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(3-chloro-4-hyd…

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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	7.95	-8.57	1	2	0	37	305.16	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.76	8.71	-48.27	0	2	-1	40	304.152	1	↓ MOL2 SDF SMILES Flexibase

49372126

Analogs

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Popular Name: (2Z)-4-chloro-2-[(1-methylpyrazol-4-yl)methylene]indan-1-one (2Z)-4-chloro-2-[(1-methylpyrazo…

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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)	2.57	7.97	-12.77	0	3	0	35	258.708	1	↓ MOL2 SDF SMILES Flexibase

49372129

Analogs

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Popular Name: (2Z)-4-chloro-2-[(5-chloro-2-thienyl)methylene]indan-1-one (2Z)-4-chloro-2-[(5-chloro-2-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.89	9.98	-7.07	0	1	0	17	295.19	1	↓ MOL2 SDF SMILES Flexibase

49372133

Analogs

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Popular Name: (2E)-2-[(5-bromo-3-thienyl)methylene]-4-chloro-indan-1-one (2E)-2-[(5-bromo-3-thienyl)methy…

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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	9.64	-6.5	0	1	0	17	339.641	1	↓ MOL2 SDF SMILES Flexibase

49372135

Analogs

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Popular Name: (2Z)-4-chloro-2-[(2-methylpyrazol-3-yl)methylene]indan-1-one (2Z)-4-chloro-2-[(2-methylpyrazo…

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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)	2.88	7.86	-11.02	0	3	0	35	258.708	1	↓ MOL2 SDF SMILES Flexibase

49372137

Analogs

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Popular Name: (2E)-4-chloro-2-(thiadiazol-4-ylmethylene)indan-1-one (2E)-4-chloro-2-(thiadiazol-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)	3.02	6.82	-9.83	0	3	0	43	262.721	1	↓ MOL2 SDF SMILES Flexibase

49372140

Analogs

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Popular Name: (2Z)-4-chloro-2-[(2,5-difluorophenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(2,5-difluoroph…

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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)	4.45	10.34	-7.01	0	1	0	17	290.696	1	↓ MOL2 SDF SMILES Flexibase

49372142

Analogs

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Popular Name: (2Z)-4-chloro-2-[(3-fluorophenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(3-fluorophenyl…

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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	10.27	-6.77	0	1	0	17	272.706	1	↓ MOL2 SDF SMILES Flexibase

49372145

Analogs

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Popular Name: (2Z)-4-chloro-2-(p-tolylmethylene)indan-1-one (2Z)-4-chloro-2-(p-tolylmethylen…

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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	10.88	-7.41	0	1	0	17	268.743	1	↓ MOL2 SDF SMILES Flexibase

49372147

Analogs

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Popular Name: (2Z)-4-chloro-2-[(2,6-difluorophenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(2,6-difluoroph…

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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)	4.42	10.31	-8.36	0	1	0	17	290.696	1	↓ MOL2 SDF SMILES Flexibase

49372150

Analogs

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Popular Name: (2Z)-4-chloro-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylene]indan-1-one (2Z)-4-chloro-2-[(5-chloro-1,3-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)	3.59	8.88	-9.73	0	3	0	35	307.18	1	↓ MOL2 SDF SMILES Flexibase

49372152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(E)-(4-chloro-1-oxo-indan-2-ylidene)methyl]benzonitrile 3-[(E)-(4-chloro-1-oxo-indan-2-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)	4.10	10.36	-10.28	0	2	0	41	279.726	1	↓ MOL2 SDF SMILES Flexibase

49372155

Analogs

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Popular Name: (2Z)-4-chloro-2-[(3,4-difluorophenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(3,4-difluoroph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	10.33	-7.98	0	1	0	17	290.696	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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