ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14549765

Analogs

14549766
14549767
14549768

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

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Activity (Go SEA)

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)	2.93	9.53	-9.18	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14549766

Analogs

14549767
14549768
14549765

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	9.62	-8.85	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14549767

Analogs

14549768
14549765
14549766

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	8.89	-8.96	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14549768

Analogs

14549765
14549766
14549767

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	8.96	-8.5	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14550357

Analogs

14550358
14550359
14550360

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.80	7.28	-10.04	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550358

Analogs

14550359
14550360
14550357

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

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Activity (Go SEA)

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)	2.80	8.51	-9.58	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550359

Analogs

14550360
14550357
14550358

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.80	8.94	-9.1	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550360

Analogs

14550357
14550358
14550359

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.80	8.06	-11.69	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550873

Analogs

14550874
14550875
14550876

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.72	10.13	-11.74	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14550874

Analogs

14550875
14550876
14550873

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.72	10.22	-11.42	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14550875

Analogs

14550876
14550873
14550874

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.72	9.5	-11.79	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14550876

Analogs

14550873
14550874
14550875

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.72	9.56	-11.27	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14551399

Analogs

14458526
14458527
14458528
14458529
14463031

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.77	7.97	-8.06	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14551400

Analogs

14458526
14458527
14458528
14458529
14463031

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.77	9.3	-8.71	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14551401

Analogs

14458526
14458527
14458528
14458529
14463031

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.77	9.52	-9.39	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14551402

Analogs

14458526
14458527
14458528
14458529
14463031

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.77	8.64	-8.53	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14552037

Analogs

14552038
14552039
14552040

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	8.93	-9.02	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

14552038

Analogs

14552039
14552040
14552037

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.28	-8.84	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

14552039

Analogs

14552040
14552037
14552038

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.48	-9.75	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

14552040

Analogs

14552037
14552038
14552039

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-6-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.85	-9.14	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243810
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 243810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243810&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "243810"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results