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ZINC Item

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746866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzamido-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-benzamido-2-pyrrolidino-N-[[(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)	2.83	-3.51	-15.72	2	6	0	70	393.487	6	↓ MOL2 SDF SMILES Flexibase

746867

Analogs

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Popular Name: 5-benzamido-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-benzamido-2-pyrrolidino-N-[[(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)	2.83	-3.56	-15.24	2	6	0	70	393.487	6	↓ MOL2 SDF SMILES Flexibase

746870

Analogs

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Popular Name: 5-[(2-chlorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-chlorobenzoyl)amino]-2-pyr…

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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)	3.46	-3.64	-16.89	2	6	0	70	427.932	6	↓ MOL2 SDF SMILES Flexibase

746873

Analogs

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Popular Name: 5-[(2,4-dichlorobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2,4-dichlorobenzoyl)amino]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	8.54	-18.02	2	6	0	71	462.377	6	↓ MOL2 SDF SMILES Flexibase

746876

Analogs

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Popular Name: 5-[(4-chlorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-chlorobenzoyl)amino]-2-pyr…

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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)	3.51	-3.66	-15.08	2	6	0	70	427.932	6	↓ MOL2 SDF SMILES Flexibase

746877

Analogs

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Popular Name: 5-[(4-chlorobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-chlorobenzoyl)amino]-2-pyr…

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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)	3.51	7.99	-17.1	2	6	0	71	427.932	6	↓ MOL2 SDF SMILES Flexibase

746878

Analogs

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Popular Name: 5-[(4-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-nitrobenzoyl)amino]-2-pyrr…

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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	-2.99	-18.42	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746879

Analogs

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Popular Name: 5-[(4-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-nitrobenzoyl)amino]-2-pyrr…

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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	9.47	-15.68	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746880

Analogs

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Popular Name: 5-[(3-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-nitrobenzoyl)amino]-2-pyrr…

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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)	2.76	9.48	-19.94	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746881

Analogs

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Popular Name: 5-[(3-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-nitrobenzoyl)amino]-2-pyrr…

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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)	2.76	9.45	-20.57	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746882

Analogs

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Popular Name: 5-(p-toluoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(p-toluoylamino)-2-pyrrolidino…

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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)	3.28	-3.19	-15.52	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746883

Analogs

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Popular Name: 5-(p-toluoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(p-toluoylamino)-2-pyrrolidino…

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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)	3.28	-3.28	-13.96	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746896

Analogs

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Popular Name: 5-(o-toluoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(o-toluoylamino)-2-pyrrolidino…

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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	-3.24	-14.54	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746897

Analogs

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Popular Name: 5-(o-toluoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(o-toluoylamino)-2-pyrrolidino…

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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	-3.3	-14.14	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746908

Analogs

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Popular Name: 3,4-dichloro-N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 3,4-dichloro-N-[4-pyrrolidino-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)	4.11	-3.79	-13.79	2	6	0	70	462.377	6	↓ MOL2 SDF SMILES Flexibase

746909

Analogs

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Popular Name: 3,4-dichloro-N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 3,4-dichloro-N-[4-pyrrolidino-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)	4.11	-3.84	-13.43	2	6	0	70	462.377	6	↓ MOL2 SDF SMILES Flexibase

746910

Analogs

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Popular Name: 5-[(2-fluorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-fluorobenzoyl)amino]-2-pyr…

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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)	2.94	-2.85	-19.23	2	6	0	70	411.477	6	↓ MOL2 SDF SMILES Flexibase

746911

Analogs

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Popular Name: 5-[(2-fluorobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-fluorobenzoyl)amino]-2-pyr…

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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)	2.94	-2.89	-19.14	2	6	0	70	411.477	6	↓ MOL2 SDF SMILES Flexibase

746912

Analogs

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Popular Name: 5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-tert-butylbenzoyl)amino]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.54	11.11	-12.07	2	6	0	71	449.595	7	↓ MOL2 SDF SMILES Flexibase

746913

Analogs

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Popular Name: 5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-tert-butylbenzoyl)amino]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.54	11.07	-12.51	2	6	0	71	449.595	7	↓ MOL2 SDF SMILES Flexibase

746916

Analogs

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Popular Name: 3,5-dimethoxy-N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 3,5-dimethoxy-N-[4-pyrrolidino-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)	2.87	7.39	-13.84	2	8	0	89	453.539	8	↓ MOL2 SDF SMILES Flexibase

746917

Analogs

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Popular Name: 3,5-dimethoxy-N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 3,5-dimethoxy-N-[4-pyrrolidino-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)	2.87	7.36	-14.31	2	8	0	89	453.539	8	↓ MOL2 SDF SMILES Flexibase

746918

Analogs

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Popular Name: 5-[(3-fluorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-fluorobenzoyl)amino]-2-pyr…

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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)	2.97	-2.77	-14.28	2	6	0	70	411.477	6	↓ MOL2 SDF SMILES Flexibase

746919

Analogs

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Popular Name: 5-[(3-fluorobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-fluorobenzoyl)amino]-2-pyr…

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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)	2.97	-2.82	-13.88	2	6	0	70	411.477	6	↓ MOL2 SDF SMILES Flexibase

746922

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide 2-pyrrolidino-N-[[(2R)-tetrahydr…

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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)	3.70	8.54	-20.76	2	6	0	71	461.484	7	↓ MOL2 SDF SMILES Flexibase

746924

Analogs

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Popular Name: 5-[(3-bromobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-bromobenzoyl)amino]-2-pyrr…

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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)	3.61	-4.27	-13.84	2	6	0	70	472.383	6	↓ MOL2 SDF SMILES Flexibase

746925

Analogs

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Popular Name: 5-[(3-bromobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-bromobenzoyl)amino]-2-pyrr…

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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)	3.61	-4.32	-13.5	2	6	0	70	472.383	6	↓ MOL2 SDF SMILES Flexibase

746930

Analogs

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Popular Name: 5-[(4-bromobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-bromobenzoyl)amino]-2-pyrr…

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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	-4.27	-15.03	2	6	0	70	472.383	6	↓ MOL2 SDF SMILES Flexibase

746931

Analogs

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Popular Name: 5-[(4-bromobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-bromobenzoyl)amino]-2-pyrr…

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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	8.09	-17.03	2	6	0	71	472.383	6	↓ MOL2 SDF SMILES Flexibase

746936

Analogs

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Popular Name: 2,4-dimethoxy-N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 2,4-dimethoxy-N-[4-pyrrolidino-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)	3.42	8.54	-16.29	2	8	0	89	453.539	8	↓ MOL2 SDF SMILES Flexibase

746937

Analogs

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Popular Name: 2,4-dimethoxy-N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 2,4-dimethoxy-N-[4-pyrrolidino-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)	3.42	8.51	-16.8	2	8	0	89	453.539	8	↓ MOL2 SDF SMILES Flexibase

746940

Analogs

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Popular Name: 4-methyl-3-nitro-N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 4-methyl-3-nitro-N-[4-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)	3.16	10.1	-19.7	2	9	0	116	452.511	7	↓ MOL2 SDF SMILES Flexibase

746941

Analogs

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Popular Name: 4-methyl-3-nitro-N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 4-methyl-3-nitro-N-[4-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)	3.16	10.07	-20.29	2	9	0	116	452.511	7	↓ MOL2 SDF SMILES Flexibase

746942

Analogs

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Popular Name: 5-(m-anisoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(m-anisoylamino)-2-pyrrolidino…

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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	8.08	-15.17	2	7	0	80	423.513	7	↓ MOL2 SDF SMILES Flexibase

746943

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Popular Name: 5-(m-anisoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(m-anisoylamino)-2-pyrrolidino…

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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	8.05	-15.75	2	7	0	80	423.513	7	↓ MOL2 SDF SMILES Flexibase

746944

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Popular Name: 5-[(4-ethylbenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-ethylbenzoyl)amino]-2-pyrr…

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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)	3.74	10.23	-12.23	2	6	0	71	421.541	7	↓ MOL2 SDF SMILES Flexibase

746945

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Popular Name: 5-[(4-ethylbenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-ethylbenzoyl)amino]-2-pyrr…

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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)	3.74	10.2	-12.79	2	6	0	71	421.541	7	↓ MOL2 SDF SMILES Flexibase

746952

Analogs

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Popular Name: 5-[(2-bromobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-bromobenzoyl)amino]-2-pyrr…

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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	-4.19	-16.49	2	6	0	70	472.383	6	↓ MOL2 SDF SMILES Flexibase

746953

Analogs

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Popular Name: 5-[(2-bromobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-bromobenzoyl)amino]-2-pyrr…

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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	8.15	-18.17	2	6	0	71	472.383	6	↓ MOL2 SDF SMILES Flexibase

746954

Analogs

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Popular Name: 5-(o-anisoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(o-anisoylamino)-2-pyrrolidino…

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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)	3.39	9.23	-15.56	2	7	0	80	423.513	7	↓ MOL2 SDF SMILES Flexibase

746955

Analogs

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Popular Name: 5-(o-anisoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(o-anisoylamino)-2-pyrrolidino…

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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)	3.39	9.2	-16.06	2	7	0	80	423.513	7	↓ MOL2 SDF SMILES Flexibase

746956

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide 2-pyrrolidino-N-[[(2R)-tetrahydr…

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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	8.56	-17.98	2	6	0	71	461.484	7	↓ MOL2 SDF SMILES Flexibase

746957

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide 2-pyrrolidino-N-[[(2S)-tetrahydr…

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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	8.47	-17.82	2	6	0	71	461.484	7	↓ MOL2 SDF SMILES Flexibase

746962

Analogs

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Popular Name: 2,6-dimethoxy-N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 2,6-dimethoxy-N-[4-pyrrolidino-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)	2.85	6.14	-20.38	2	8	0	89	453.539	8	↓ MOL2 SDF SMILES Flexibase

746963

Analogs

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Popular Name: 2,6-dimethoxy-N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 2,6-dimethoxy-N-[4-pyrrolidino-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)	2.85	6.11	-19.75	2	8	0	89	453.539	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 610
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 = 610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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', {
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