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44018005

Analogs

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Popular Name: (2S)-2-(2,4-dimethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (2S)-2-(2,4-dimethoxyphenyl)-N-[…

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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	7.66	-14.78	1	6	0	60	410.392	6	↓ MOL2 SDF SMILES Flexibase

44018006

Analogs

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Popular Name: (2R)-2-(2,4-dimethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (2R)-2-(2,4-dimethoxyphenyl)-N-[…

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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	7.8	-15.05	1	6	0	60	410.392	6	↓ MOL2 SDF SMILES Flexibase

44018016

Analogs

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Popular Name: (2S)-2-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (2S)-2-(2,5-dimethoxyphenyl)-N-[…

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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	7.64	-15.1	1	6	0	60	410.392	6	↓ MOL2 SDF SMILES Flexibase

44018017

Analogs

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Popular Name: (2R)-2-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (2R)-2-(2,5-dimethoxyphenyl)-N-[…

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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	7.8	-15.09	1	6	0	60	410.392	6	↓ MOL2 SDF SMILES Flexibase

48453295

Analogs

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Popular Name: (2S)-N-(2-bromo-4-fluoro-phenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(2-bromo-4-fluoro-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)	4.61	9.62	-9.39	1	4	0	42	393.256	3	↓ MOL2 SDF SMILES Flexibase

48453297

Analogs

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Popular Name: (2R)-N-(2-bromo-4-fluoro-phenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (2R)-N-(2-bromo-4-fluoro-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)	4.61	9.62	-9.38	1	4	0	42	393.256	3	↓ MOL2 SDF SMILES Flexibase

62462237

Analogs

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Popular Name: (2S)-N-(2-chloro-4-methoxy-phenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(2-chloro-4-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)	4.37	8.71	-11.01	1	5	0	51	360.841	4	↓ MOL2 SDF SMILES Flexibase

62462493

Analogs

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Popular Name: (2R)-N-(2-chloro-4-methoxy-phenyl)-2-phenyl-pyrrolidine-1-carboxamide (2R)-N-(2-chloro-4-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)	4.34	9.36	-8.8	1	4	0	42	330.815	3	↓ MOL2 SDF SMILES Flexibase

62463194

Analogs

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Popular Name: (2S)-N-(2-chloro-4-methoxy-phenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(2-chloro-4-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)	4.38	7.77	-12.14	1	6	0	60	390.867	5	↓ MOL2 SDF SMILES Flexibase

56702936

Analogs

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Popular Name: (2R)-N-(4-ethoxy-3-fluoro-phenyl)-2-phenyl-pyrrolidine-1-carboxamide (2R)-N-(4-ethoxy-3-fluoro-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)	4.20	9.74	-11.11	1	4	0	42	328.387	4	↓ MOL2 SDF SMILES Flexibase

56702937

Analogs

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Popular Name: (2S)-N-(4-ethoxy-3-fluoro-phenyl)-2-phenyl-pyrrolidine-1-carboxamide (2S)-N-(4-ethoxy-3-fluoro-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)	4.20	9.76	-10.91	1	4	0	42	328.387	4	↓ MOL2 SDF SMILES Flexibase

56703018

Analogs

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Popular Name: (2R)-2-(2,4-dimethoxyphenyl)-N-(4-ethoxy-3-fluoro-phenyl)pyrrolidine-1-carboxamide (2R)-2-(2,4-dimethoxyphenyl)-N-(…

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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)	4.24	8.31	-13.47	1	6	0	60	388.439	6	↓ MOL2 SDF SMILES Flexibase

56703019

Analogs

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Popular Name: (2S)-2-(2,4-dimethoxyphenyl)-N-(4-ethoxy-3-fluoro-phenyl)pyrrolidine-1-carboxamide (2S)-2-(2,4-dimethoxyphenyl)-N-(…

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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)	4.24	8.19	-18.03	1	6	0	60	388.439	6	↓ MOL2 SDF SMILES Flexibase

56703040

Analogs

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Popular Name: (2R)-2-(2,5-dimethoxyphenyl)-N-(4-ethoxy-3-fluoro-phenyl)pyrrolidine-1-carboxamide (2R)-2-(2,5-dimethoxyphenyl)-N-(…

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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)	4.24	8.27	-13.95	1	6	0	60	388.439	6	↓ MOL2 SDF SMILES Flexibase

56703041

Analogs

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Popular Name: (2S)-2-(2,5-dimethoxyphenyl)-N-(4-ethoxy-3-fluoro-phenyl)pyrrolidine-1-carboxamide (2S)-2-(2,5-dimethoxyphenyl)-N-(…

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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)	4.24	8.17	-18.3	1	6	0	60	388.439	6	↓ MOL2 SDF SMILES Flexibase

56715517

Analogs

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Popular Name: (2S)-N-(3,5-difluoro-4-methoxy-phenyl)-2-(m-tolyl)pyrrolidine-1-carboxamide (2S)-N-(3,5-difluoro-4-methoxy-p…

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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)	4.34	9.7	-12.12	1	4	0	42	346.377	3	↓ MOL2 SDF SMILES Flexibase

56715518

Analogs

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Popular Name: (2R)-N-(3,5-difluoro-4-methoxy-phenyl)-2-(m-tolyl)pyrrolidine-1-carboxamide (2R)-N-(3,5-difluoro-4-methoxy-p…

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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)	4.34	9.7	-12	1	4	0	42	346.377	3	↓ MOL2 SDF SMILES Flexibase

56715670

Analogs

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Popular Name: (2R)-2-(2-chlorophenyl)-N-(3,5-difluoro-4-methoxy-phenyl)pyrrolidine-1-carboxamide (2R)-2-(2-chlorophenyl)-N-(3,5-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)	4.54	9.28	-12.13	1	4	0	42	366.795	3	↓ MOL2 SDF SMILES Flexibase

56715672

Analogs

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Popular Name: (2S)-2-(2-chlorophenyl)-N-(3,5-difluoro-4-methoxy-phenyl)pyrrolidine-1-carboxamide (2S)-2-(2-chlorophenyl)-N-(3,5-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)	4.54	9.19	-11.91	1	4	0	42	366.795	3	↓ MOL2 SDF SMILES Flexibase

56717961

Analogs

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Popular Name: (2S)-N-(3,5-difluoro-4-methoxy-phenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(3,5-difluoro-4-methoxy-p…

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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)	3.96	7.4	-14.7	1	6	0	60	392.402	5	↓ MOL2 SDF SMILES Flexibase

56717964

Analogs

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Popular Name: (2R)-N-(3,5-difluoro-4-methoxy-phenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (2R)-N-(3,5-difluoro-4-methoxy-p…

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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)	3.96	7.55	-14.57	1	6	0	60	392.402	5	↓ MOL2 SDF SMILES Flexibase

56718002

Analogs

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Popular Name: (2S)-N-(3,5-difluoro-4-methoxy-phenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(3,5-difluoro-4-methoxy-p…

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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)	3.96	7.39	-14.85	1	6	0	60	392.402	5	↓ MOL2 SDF SMILES Flexibase

56718003

Analogs

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Popular Name: (2R)-N-(3,5-difluoro-4-methoxy-phenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (2R)-N-(3,5-difluoro-4-methoxy-p…

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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)	3.96	7.55	-14.5	1	6	0	60	392.402	5	↓ MOL2 SDF SMILES Flexibase

56747299

Analogs

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Popular Name: (2R)-2-(3-methoxyphenyl)-N-(2-methyl-4-propoxy-phenyl)pyrrolidine-1-carboxamide (2R)-2-(3-methoxyphenyl)-N-(2-me…

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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)	5.02	10.71	-13.11	1	5	0	51	368.477	6	↓ MOL2 SDF SMILES Flexibase

56747300

Analogs

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Popular Name: (2S)-2-(3-methoxyphenyl)-N-(2-methyl-4-propoxy-phenyl)pyrrolidine-1-carboxamide (2S)-2-(3-methoxyphenyl)-N-(2-me…

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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)	5.02	10.7	-13.03	1	5	0	51	368.477	6	↓ MOL2 SDF SMILES Flexibase

56756824

Analogs

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Popular Name: (2R)-N-[4-(diallylcarbamoyl)phenyl]-2-phenyl-pyrrolidine-1-carboxamide (2R)-N-[4-(diallylcarbamoyl)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)	3.93	12.12	-12.78	1	5	0	53	389.499	7	↓ MOL2 SDF SMILES Flexibase

56756825

Analogs

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Popular Name: (2S)-N-[4-(diallylcarbamoyl)phenyl]-2-phenyl-pyrrolidine-1-carboxamide (2S)-N-[4-(diallylcarbamoyl)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)	3.93	12.14	-12.87	1	5	0	53	389.499	7	↓ MOL2 SDF SMILES Flexibase

56772258

Analogs

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Popular Name: (2S)-N-(3-allyloxyphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(3-allyloxyphenyl)-2-(2,5…

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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	8.67	-17.22	1	6	0	60	382.46	7	↓ MOL2 SDF SMILES Flexibase

56772259

Analogs

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Popular Name: (2R)-N-(3-allyloxyphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (2R)-N-(3-allyloxyphenyl)-2-(2,5…

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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	8.82	-17.32	1	6	0	60	382.46	7	↓ MOL2 SDF SMILES Flexibase

56773380

Analogs

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Popular Name: (2R)-2-(2-chlorophenyl)-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide (2R)-2-(2-chlorophenyl)-N-[3-flu…

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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)	4.34	9.31	-13.29	1	5	0	51	392.858	6	↓ MOL2 SDF SMILES Flexibase

56773381

Analogs

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Popular Name: (2S)-2-(2-chlorophenyl)-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide (2S)-2-(2-chlorophenyl)-N-[3-flu…

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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)	4.34	9.22	-18.16	1	5	0	51	392.858	6	↓ MOL2 SDF SMILES Flexibase

56773415

Analogs

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Popular Name: (2S)-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2-(m-tolyl)pyrrolidine-1-carboxamide (2S)-N-[3-fluoro-4-(2-methoxyeth…

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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)	4.14	9.72	-18.29	1	5	0	51	372.44	6	↓ MOL2 SDF SMILES Flexibase

56773416

Analogs

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Popular Name: (2R)-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2-(m-tolyl)pyrrolidine-1-carboxamide (2R)-N-[3-fluoro-4-(2-methoxyeth…

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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)	4.14	9.72	-18.09	1	5	0	51	372.44	6	↓ MOL2 SDF SMILES Flexibase

56774657

Analogs

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Popular Name: (2R)-N-[2-[2-(dimethylamino)-2-oxo-ethoxy]-4-methyl-phenyl]-2-(o-tolyl)pyrrolidine-1-carboxamide (2R)-N-[2-[2-(dimethylamino)-2-o…

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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	11.43	-18.31	1	6	0	62	395.503	5	↓ MOL2 SDF SMILES Flexibase

56774658

Analogs

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Popular Name: (2S)-N-[2-[2-(dimethylamino)-2-oxo-ethoxy]-4-methyl-phenyl]-2-(o-tolyl)pyrrolidine-1-carboxamide (2S)-N-[2-[2-(dimethylamino)-2-o…

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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	11.36	-18.51	1	6	0	62	395.503	5	↓ MOL2 SDF SMILES Flexibase

56774743

Analogs

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Popular Name: (2S)-N-[2-[2-(dimethylamino)-2-oxo-ethoxy]-4-methyl-phenyl]-2-(m-tolyl)pyrrolidine-1-carboxamide (2S)-N-[2-[2-(dimethylamino)-2-o…

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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)	3.44	11.75	-17.81	1	6	0	62	395.503	5	↓ MOL2 SDF SMILES Flexibase

56774744

Analogs

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Popular Name: (2R)-N-[2-[2-(dimethylamino)-2-oxo-ethoxy]-4-methyl-phenyl]-2-(m-tolyl)pyrrolidine-1-carboxamide (2R)-N-[2-[2-(dimethylamino)-2-o…

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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)	3.44	11.76	-17.95	1	6	0	62	395.503	5	↓ MOL2 SDF SMILES Flexibase

56783902

Analogs

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Popular Name: (2R)-2-(2-chlorophenyl)-N-[2-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (2R)-2-(2-chlorophenyl)-N-[2-(di…

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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)	3.98	11.87	-13.97	1	5	0	53	399.922	5	↓ MOL2 SDF SMILES Flexibase

56783903

Analogs

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Popular Name: (2S)-2-(2-chlorophenyl)-N-[2-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (2S)-2-(2-chlorophenyl)-N-[2-(di…

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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)	3.98	11.73	-13.34	1	5	0	53	399.922	5	↓ MOL2 SDF SMILES Flexibase

56783905

Analogs

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Popular Name: (2R)-N-[2-(diethylcarbamoyl)phenyl]-2-(o-tolyl)pyrrolidine-1-carboxamide (2R)-N-[2-(diethylcarbamoyl)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)	3.75	11.9	-14.15	1	5	0	53	379.504	5	↓ MOL2 SDF SMILES Flexibase

56783906

Analogs

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Popular Name: (2S)-N-[2-(diethylcarbamoyl)phenyl]-2-(o-tolyl)pyrrolidine-1-carboxamide (2S)-N-[2-(diethylcarbamoyl)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)	3.75	11.84	-15.08	1	5	0	53	379.504	5	↓ MOL2 SDF SMILES Flexibase

56783946

Analogs

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Popular Name: (2R)-N-[2-(diethylcarbamoyl)phenyl]-2-(m-tolyl)pyrrolidine-1-carboxamide (2R)-N-[2-(diethylcarbamoyl)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)	3.77	12.23	-14.15	1	5	0	53	379.504	5	↓ MOL2 SDF SMILES Flexibase

56783947

Analogs

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Popular Name: (2S)-N-[2-(diethylcarbamoyl)phenyl]-2-(m-tolyl)pyrrolidine-1-carboxamide (2S)-N-[2-(diethylcarbamoyl)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)	3.77	12.23	-14.42	1	5	0	53	379.504	5	↓ MOL2 SDF SMILES Flexibase

56790548

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)	4.05	10.62	-13.75	1	6	0	62	367.449	4	↓ MOL2 SDF SMILES Flexibase

56790549

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)	4.05	10.61	-13.76	1	6	0	62	367.449	4	↓ MOL2 SDF SMILES Flexibase

58003687

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)	4.28	10.36	-15.86	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

58003690

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)	4.28	10.36	-15.68	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

58323190

Analogs

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Popular Name: (2R)-N-[3-[ethyl(methyl)amino]phenyl]-2-(o-tolyl)pyrrolidine-1-carboxamide (2R)-N-[3-[ethyl(methyl)amino]ph…

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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)	4.53	11.16	-11.69	1	4	0	36	337.467	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.53	11.59	-21.32	2	4	0	37	338.475	4	↓ MOL2 SDF SMILES Flexibase

58323191

Analogs

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Popular Name: (2S)-N-[3-[ethyl(methyl)amino]phenyl]-2-(o-tolyl)pyrrolidine-1-carboxamide (2S)-N-[3-[ethyl(methyl)amino]ph…

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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)	4.53	11.12	-11.64	1	4	0	36	337.467	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.53	11.54	-20.57	2	4	0	37	338.475	4	↓ MOL2 SDF SMILES Flexibase

14016898

Analogs

43265705
43265706

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Popular Name: (2S)-N-(2,4-difluorophenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (2S)-N-(2,4-difluorophenyl)-2-(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)	3.97	8.05	-10.85	1	5	0	51	362.376	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3611
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 = 3611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3611&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": "3611"        

    });
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