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13256664

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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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)	0.89	8.29	-52.25	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13256665

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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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)	0.89	8.48	-63.9	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13256666

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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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)	0.89	7.56	-59.18	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13256667

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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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)	0.89	7.65	-66.37	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13257040

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3,4-dimeth (3R)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	-0.14	7.13	-61.13	1	10	-1	126	469.47	8	↓ MOL2 SDF SMILES Flexibase

13257041

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3,4-dimeth (3S)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	-0.14	6.44	-72.93	1	10	-1	126	469.47	8	↓ MOL2 SDF SMILES Flexibase

13257042

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3,4-dimeth (3R)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	-0.14	6.95	-59.98	1	10	-1	126	469.47	8	↓ MOL2 SDF SMILES Flexibase

13257043

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3,4-dimeth (3S)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	-0.14	6.32	-64.17	1	10	-1	126	469.47	8	↓ MOL2 SDF SMILES Flexibase

13257587

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-fluoroph (3R)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.37	7.83	-52.42	1	8	-1	108	427.408	6	↓ MOL2 SDF SMILES Flexibase

13257588

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-fluoroph (3S)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.37	8.02	-64.1	1	8	-1	108	427.408	6	↓ MOL2 SDF SMILES Flexibase

13257589

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-fluoroph (3R)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.37	7.1	-59.37	1	8	-1	108	427.408	6	↓ MOL2 SDF SMILES Flexibase

13257590

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-fluoroph (3S)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.37	7.2	-66.57	1	8	-1	108	427.408	6	↓ MOL2 SDF SMILES Flexibase

13257983

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)pr (3R)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.66	7.85	-69.1	1	8	-1	108	423.445	6	↓ MOL2 SDF SMILES Flexibase

13257984

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)pr (3S)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.66	7.77	-61.87	1	8	-1	108	423.445	6	↓ MOL2 SDF SMILES Flexibase

13257985

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)pr (3R)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.66	7.72	-61.93	1	8	-1	108	423.445	6	↓ MOL2 SDF SMILES Flexibase

13257986

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)pr (3S)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.66	7.81	-69.41	1	8	-1	108	423.445	6	↓ MOL2 SDF SMILES Flexibase

13258943

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3R)-3-(2-chlorophenyl)-3-[[(3S)…

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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)	0.84	8.47	-60.05	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13258944

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3S)-3-(2-chlorophenyl)-3-[[(3S)…

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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)	0.84	8.54	-70.82	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13258945

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3R)-3-(2-chlorophenyl)-3-[[(3R)…

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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)	0.84	8.41	-61.58	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

13258946

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]a (3S)-3-(2-chlorophenyl)-3-[[(3R)…

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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)	0.84	8.44	-58.64	1	8	-1	108	443.863	6	↓ MOL2 SDF SMILES Flexibase

23040575

Analogs

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methyl-5-oxo-pyrrolidine- (3S)-1-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	10.56	-17.82	0	6	0	59	394.471	4	↓ MOL2 SDF SMILES Flexibase

23040576

Analogs

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Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methyl-5-oxo-pyrrolidine- (3R)-1-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	10.59	-17.34	0	6	0	59	394.471	4	↓ MOL2 SDF SMILES Flexibase

23923337

Analogs

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Popular Name: (3S)-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyr (3S)-N-[[4-(difluoromethoxy)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	6.3	-24.89	1	8	0	86	448.422	7	↓ MOL2 SDF SMILES Flexibase

23923340

Analogs

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Popular Name: (3R)-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyr (3R)-N-[[4-(difluoromethoxy)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	6.21	-26.47	1	8	0	86	448.422	7	↓ MOL2 SDF SMILES Flexibase

13427047

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-methoxyp (3R)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.27	6.47	-69.86	1	9	-1	117	439.444	7	↓ MOL2 SDF SMILES Flexibase

13427049

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-methoxyp (3S)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.27	6.39	-62.6	1	9	-1	117	439.444	7	↓ MOL2 SDF SMILES Flexibase

13427051

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-methoxyp (3R)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.27	6.33	-62.59	1	9	-1	117	439.444	7	↓ MOL2 SDF SMILES Flexibase

13427052

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(4-methoxyp (3S)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.27	6.43	-70.2	1	9	-1	117	439.444	7	↓ MOL2 SDF SMILES Flexibase

13427662

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-prop (3R)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.21	7.17	-68.76	1	8	-1	108	409.418	6	↓ MOL2 SDF SMILES Flexibase

13427663

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-prop (3S)-3-[[(3S)-1-(2,3-dihydro-1,4…

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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)	0.21	7.23	-70.18	1	8	-1	108	409.418	6	↓ MOL2 SDF SMILES Flexibase

13427664

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-prop (3R)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.21	7.82	-58.89	1	8	-1	108	409.418	6	↓ MOL2 SDF SMILES Flexibase

13427665

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Popular Name: (3S)-3-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-prop (3S)-3-[[(3R)-1-(2,3-dihydro-1,4…

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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)	0.21	7.13	-69.08	1	8	-1	108	409.418	6	↓ MOL2 SDF SMILES Flexibase

14573385

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-5-oxo-pyrrolidine-3-c (3S)-1-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	8.82	-20.57	1	6	0	68	394.471	4	↓ MOL2 SDF SMILES Flexibase

14573386

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Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5-oxo-pyrrolidine-3-c (3S)-1-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	8.81	-16.24	1	6	0	68	394.471	4	↓ MOL2 SDF SMILES Flexibase

14573387

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Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-5-oxo-pyrrolidine-3-c (3R)-1-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	8.77	-16.4	1	6	0	68	394.471	4	↓ MOL2 SDF SMILES Flexibase

14573388

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Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5-oxo-pyrrolidine-3-c (3R)-1-(2,3-dihydro-1,4-benzodio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	8.75	-16.26	1	6	0	68	394.471	4	↓ MOL2 SDF SMILES Flexibase

14575024

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Popular Name: (3S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-c (3S)-N-[(1R)-1-(3,4-difluorophen…

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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)	2.23	7.78	-21.73	1	6	0	68	402.397	4	↓ MOL2 SDF SMILES Flexibase

14575025

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Popular Name: (3S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-c (3S)-N-[(1S)-1-(3,4-difluorophen…

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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)	2.23	7.68	-20.03	1	6	0	68	402.397	4	↓ MOL2 SDF SMILES Flexibase

14575026

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Popular Name: (3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-c (3R)-N-[(1R)-1-(3,4-difluorophen…

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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)	2.23	7.74	-23.83	1	6	0	68	402.397	4	↓ MOL2 SDF SMILES Flexibase

14575027

Analogs

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Popular Name: (3R)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-c (3R)-N-[(1S)-1-(3,4-difluorophen…

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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)	2.23	7.79	-22.1	1	6	0	68	402.397	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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