ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

48948598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-5-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1S)-5-chloroindan-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)	2.30	8.29	-17.31	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

48948600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-5-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1R)-5-chloroindan-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)	2.30	8.22	-17.49	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

48948602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-5-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1S)-5-chloroindan-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)	2.30	7.25	-11.35	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

48948604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-5-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1R)-5-chloroindan-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)	2.30	7.19	-10.46	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

48974671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dichloro-N-[(1R)-4-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[(1R)-4-fluo…

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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)	3.20	8.12	-8.31	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

48974673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-N-[(1R)-4-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[(1R)-4-fluo…

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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)	3.20	8.12	-8.52	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

48974674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dichloro-N-[(1S)-4-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[(1S)-4-fluo…

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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)	3.20	8.05	-8.67	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

48974676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-N-[(1S)-4-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[(1S)-4-fluo…

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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)	3.20	8.05	-8.64	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

48974694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-4-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1S)-4-fluoroindan-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)	1.76	7.84	-16.66	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

48974696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-4-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1R)-4-fluoroindan-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)	1.76	7.77	-17.17	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

48974697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-4-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1S)-4-fluoroindan-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)	1.76	6.79	-10.97	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

48974699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-4-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1R)-4-fluoroindan-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)	1.76	6.74	-10.81	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

48975724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dichloro-N-[(1R)-4-chloroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[(1R)-4-chlo…

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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)	3.72	8.53	-7.9	1	2	0	29	318.631	2	↓ MOL2 SDF SMILES Flexibase

48975727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-N-[(1R)-4-chloroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[(1R)-4-chlo…

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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)	3.72	8.53	-8.13	1	2	0	29	318.631	2	↓ MOL2 SDF SMILES Flexibase

48975730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dichloro-N-[(1S)-4-chloroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[(1S)-4-chlo…

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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)	3.72	8.48	-8.22	1	2	0	29	318.631	2	↓ MOL2 SDF SMILES Flexibase

48975733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-N-[(1S)-4-chloroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[(1S)-4-chlo…

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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)	3.72	8.48	-8.1	1	2	0	29	318.631	2	↓ MOL2 SDF SMILES Flexibase

49306127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-5-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1S)-5-fluoroindan-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)	1.79	7.84	-17.88	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

49306129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-5-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1R)-5-fluoroindan-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)	1.79	7.77	-18.01	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

49306131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-5-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1S)-5-fluoroindan-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)	1.79	6.8	-12	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

49306133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-5-fluoroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1R)-5-fluoroindan-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)	1.79	6.74	-11.01	1	5	0	75	264.256	3	↓ MOL2 SDF SMILES Flexibase

49319438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(1R)-5-fluoroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[(1R)-5-fluoroindan-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)	2.88	7.13	-7.8	1	2	0	29	233.286	2	↓ MOL2 SDF SMILES Flexibase

49319440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-5-fluoroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(1R)-5-fluoroindan-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)	2.88	7.09	-8.56	1	2	0	29	233.286	2	↓ MOL2 SDF SMILES Flexibase

49319442

Analogs

55656287
55656288

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(1R)-5-fluoroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[(1R)-5-fluoroindan-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)	2.88	7.09	-8.56	1	2	0	29	233.286	2	↓ MOL2 SDF SMILES Flexibase

49319444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-5-fluoroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(1R)-5-fluoroindan-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)	2.88	7.13	-7.77	1	2	0	29	233.286	2	↓ MOL2 SDF SMILES Flexibase

49319450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dichloro-N-[(1R)-5-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[(1R)-5-fluo…

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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)	3.23	8.11	-9.13	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

49319452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-N-[(1R)-5-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[(1R)-5-fluo…

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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)	3.23	8.11	-9.57	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

49319454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dichloro-N-[(1S)-5-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[(1S)-5-fluo…

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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)	3.23	8.06	-9.43	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

49319456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-N-[(1S)-5-fluoroindan-1-yl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[(1S)-5-fluo…

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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)	3.23	8.06	-9.12	1	2	0	29	302.176	2	↓ MOL2 SDF SMILES Flexibase

49351357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-4-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1S)-4-chloroindan-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)	2.28	8.27	-16.33	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

49351360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-4-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1R,2S)-N-[(1R)-4-chloroindan-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)	2.28	8.19	-16.77	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

49351364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-4-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1S)-4-chloroindan-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)	2.28	7.23	-10.56	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

49351368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-4-chloroindan-1-yl]-2-nitro-cyclopropanecarboxamide (1S,2S)-N-[(1R)-4-chloroindan-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)	2.28	7.16	-10.21	1	5	0	75	280.711	3	↓ MOL2 SDF SMILES Flexibase

49356779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(1R)-4-chloroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[(1R)-4-chloroindan-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)	3.37	7.55	-6.62	1	2	0	29	249.741	2	↓ MOL2 SDF SMILES Flexibase

49356783

Analogs

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Popular Name: (1S,2S)-N-[(1R)-4-chloroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(1R)-4-chloroindan-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)	3.37	7.5	-7.4	1	2	0	29	249.741	2	↓ MOL2 SDF SMILES Flexibase

49356787

Analogs

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Popular Name: (1R,2R)-N-[(1R)-4-chloroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[(1R)-4-chloroindan-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)	3.37	7.5	-7.34	1	2	0	29	249.741	2	↓ MOL2 SDF SMILES Flexibase

49356791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-4-chloroindan-1-yl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(1R)-4-chloroindan-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)	3.37	7.55	-6.54	1	2	0	29	249.741	2	↓ MOL2 SDF SMILES Flexibase

49357047

Analogs

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Popular Name: N-[(1S)-4-fluoroindan-1-yl]cyclopropanecarboxamide N-[(1S)-4-fluoroindan-1-yl]cyclo…

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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)	2.25	6.4	-7.92	1	2	0	29	219.259	2	↓ MOL2 SDF SMILES Flexibase

49357051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-fluoroindan-1-yl]cyclopropanecarboxamide N-[(1R)-4-fluoroindan-1-yl]cyclo…

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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)	2.25	6.34	-8.01	1	2	0	29	219.259	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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