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ZINC Item

Suppliers, Protomers, & Similar Substances

6728753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-3-methyl-4-[(4-methyl-1-piperidyl)carbonylmethoxy]benzenesulfonamide N-isopropyl-3-methyl-4-[(4-methy…

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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)	2.61	-3.8	-16.74	1	6	0	75	368.499	6	↓ MOL2 SDF SMILES Flexibase

27315576

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)	2.73	8.95	-17.52	0	6	0	65	335.4	6	↓ MOL2 SDF SMILES Flexibase

27315583

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)	2.73	9.19	-17.35	0	6	0	65	335.4	6	↓ MOL2 SDF SMILES Flexibase

27315590

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)	2.73	9.19	-17.85	0	6	0	65	335.4	6	↓ MOL2 SDF SMILES Flexibase

40332701

Analogs

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Popular Name: 2-(2-aminophenoxy)-1-[4-(dimethylaminomethyl)-1-piperidyl]ethanone 2-(2-aminophenoxy)-1-[4-(dimethy…

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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)	1.58	7.28	-47.34	3	5	1	60	292.403	5	↓ MOL2 SDF SMILES Flexibase

40332727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenoxy)-1-[4-(dimethylaminomethyl)-1-piperidyl]ethanone 2-(4-aminophenoxy)-1-[4-(dimethy…

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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)	1.22	7.17	-51.26	3	5	1	60	292.403	5	↓ MOL2 SDF SMILES Flexibase

40332731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenoxy)-1-[4-(dimethylaminomethyl)-1-piperidyl]ethanone 2-(3-aminophenoxy)-1-[4-(dimethy…

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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)	1.20	7.18	-51.35	3	5	1	60	292.403	5	↓ MOL2 SDF SMILES Flexibase

50906285

Analogs

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Popular Name: 4-[2-oxo-2-(4-propyl-1-piperidyl)ethoxy]benzonitrile 4-[2-oxo-2-(4-propyl-1-piperidyl…

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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)	3.49	9.78	-13.89	0	4	0	53	286.375	5	↓ MOL2 SDF SMILES Flexibase

50906291

Analogs

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Popular Name: 2-[2-oxo-2-(4-propyl-1-piperidyl)ethoxy]benzonitrile 2-[2-oxo-2-(4-propyl-1-piperidyl…

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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	9.78	-19.56	0	4	0	53	286.375	5	↓ MOL2 SDF SMILES Flexibase

45619658

Analogs

45619661

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(3-isopropylphenoxy)propanoyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[(2S)-2-(3-isopropylphenoxy)pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	9.52	-21.18	0	5	0	50	346.471	5	↓ MOL2 SDF SMILES Flexibase

45619661

Analogs

45619658

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(3-isopropylphenoxy)propanoyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[(2R)-2-(3-isopropylphenoxy)pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	9.58	-20.04	0	5	0	50	346.471	5	↓ MOL2 SDF SMILES Flexibase

35625722

Analogs

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Popular Name: (2S)-2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[2-[(1S)-1-hydroxypropyl]…

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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)	2.64	6.88	-12.62	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35625723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[2-[(1R)-1-hydroxypropyl]…

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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)	2.64	6.88	-12.92	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35625724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[2-[(1S)-1-hydroxypropyl]…

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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)	2.64	6.85	-13.13	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35625725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[2-[(1R)-1-hydroxypropyl]…

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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)	2.64	6.85	-12.73	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35625884

Analogs

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Popular Name: 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)ethanone 2-[2-[(1S)-1-hydroxypropyl]pheno…

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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)	2.27	6.53	-12.89	1	4	0	50	277.364	5	↓ MOL2 SDF SMILES Flexibase

35625885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)ethanone 2-[2-[(1R)-1-hydroxypropyl]pheno…

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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)	2.27	6.53	-12.83	1	4	0	50	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[4-[(1S)-1-hydroxyethyl]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)	2.18	5.99	-12.92	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[4-[(1R)-1-hydroxyethyl]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)	2.18	5.96	-12.95	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[4-[(1S)-1-hydroxyethyl]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)	2.18	5.95	-13.2	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[4-[(1R)-1-hydroxyethyl]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)	2.18	5.91	-13.16	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]-1-(1-piperidyl)ethanone 2-[4-[(1S)-1-hydroxyethyl]-2-met…

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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)	1.41	5.39	-16.65	1	5	0	59	293.363	5	↓ MOL2 SDF SMILES Flexibase

35626596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]-1-(1-piperidyl)ethanone 2-[4-[(1R)-1-hydroxyethyl]-2-met…

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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)	1.41	5.36	-16.75	1	5	0	59	293.363	5	↓ MOL2 SDF SMILES Flexibase

35626797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[2-[(1S)-1-hydroxyethyl]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)	2.13	6.07	-12.69	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[2-[(1R)-1-hydroxyethyl]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)	2.13	6.05	-12.93	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[2-[(1S)-1-hydroxyethyl]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)	2.13	6.04	-13.27	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[2-[(1R)-1-hydroxyethyl]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)	2.13	6.03	-12.81	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35626995

Analogs

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Popular Name: 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)ethanone 2-[2-[(1S)-1-hydroxyethyl]phenox…

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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)	1.77	5.72	-12.95	1	4	0	50	263.337	4	↓ MOL2 SDF SMILES Flexibase

35626997

Analogs

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Popular Name: 2-[2-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)ethanone 2-[2-[(1R)-1-hydroxyethyl]phenox…

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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)	1.77	5.71	-12.96	1	4	0	50	263.337	4	↓ MOL2 SDF SMILES Flexibase

35627356

Analogs

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Popular Name: 2-[4-[(3S)-3-hydroxybutyl]phenoxy]-1-(1-piperidyl)ethanone 2-[4-[(3S)-3-hydroxybutyl]phenox…

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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)	2.68	7.08	-12.72	1	4	0	50	291.391	6	↓ MOL2 SDF SMILES Flexibase

35627357

Analogs

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Popular Name: 2-[4-[(3R)-3-hydroxybutyl]phenoxy]-1-(1-piperidyl)ethanone 2-[4-[(3R)-3-hydroxybutyl]phenox…

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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)	2.68	7.08	-12.72	1	4	0	50	291.391	6	↓ MOL2 SDF SMILES Flexibase

35627569

Analogs

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Popular Name: (2S)-2-[3-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[3-[(1S)-1-hydroxyethyl]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)	2.16	5.98	-12.64	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35627570

Analogs

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Popular Name: (2S)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[3-[(1R)-1-hydroxyethyl]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)	2.16	5.94	-12.58	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35627571

Analogs

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Popular Name: (2R)-2-[3-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[3-[(1S)-1-hydroxyethyl]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)	2.16	5.95	-13.49	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35627572

Analogs

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Popular Name: (2R)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[3-[(1R)-1-hydroxyethyl]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)	2.16	5.92	-13.54	1	4	0	50	277.364	4	↓ MOL2 SDF SMILES Flexibase

35627739

Analogs

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Popular Name: 2-[3-[(1S)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)ethanone 2-[3-[(1S)-1-hydroxyethyl]phenox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	5.65	-13.34	1	4	0	50	263.337	4	↓ MOL2 SDF SMILES Flexibase

35627740

Analogs

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Popular Name: 2-[3-[(1R)-1-hydroxyethyl]phenoxy]-1-(1-piperidyl)ethanone 2-[3-[(1R)-1-hydroxyethyl]phenox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	5.6	-13.42	1	4	0	50	263.337	4	↓ MOL2 SDF SMILES Flexibase

35628119

Analogs

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Popular Name: (2S)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[4-[(1S)-1-hydroxypropyl]…

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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)	2.68	6.82	-12.71	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35628120

Analogs

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Popular Name: (2S)-2-[4-[(1R)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[4-[(1R)-1-hydroxypropyl]…

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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)	2.68	6.8	-12.83	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35628121

Analogs

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Popular Name: (2R)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[4-[(1S)-1-hydroxypropyl]…

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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)	2.68	6.79	-13.03	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35628122

Analogs

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Popular Name: (2R)-2-[4-[(1R)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[4-[(1R)-1-hydroxypropyl]…

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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)	2.68	6.75	-13.03	1	4	0	50	291.391	5	↓ MOL2 SDF SMILES Flexibase

35628275

Analogs

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Popular Name: 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)ethanone 2-[4-[(1S)-1-hydroxypropyl]pheno…

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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)	2.32	6.48	-12.61	1	4	0	50	277.364	5	↓ MOL2 SDF SMILES Flexibase

35628276

Analogs

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Popular Name: 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-1-(1-piperidyl)ethanone 2-[4-[(1R)-1-hydroxypropyl]pheno…

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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)	2.32	6.44	-12.65	1	4	0	50	277.364	5	↓ MOL2 SDF SMILES Flexibase

35629147

Analogs

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Popular Name: 2-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]-1-(1-piperidyl)ethanone 2-[2-(N-hydroxy-C-methyl-carboni…

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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)	2.60	6.66	-15.76	1	5	0	62	290.363	4	↓ MOL2 SDF SMILES Flexibase

35629270

Analogs

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Popular Name: (2S)-2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[2-[(1R)-1-aminoethyl]-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)	0.86	7.2	-44.02	3	4	1	57	291.415	4	↓ MOL2 SDF SMILES Flexibase

35629271

Analogs

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Popular Name: (2S)-2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-1-(1-piperidyl)propan-1-one (2S)-2-[2-[(1S)-1-aminoethyl]-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)	0.86	7.22	-44.52	3	4	1	57	291.415	4	↓ MOL2 SDF SMILES Flexibase

35629272

Analogs

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Popular Name: (2R)-2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[2-[(1R)-1-aminoethyl]-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)	0.86	7.17	-44.44	3	4	1	57	291.415	4	↓ MOL2 SDF SMILES Flexibase

35629273

Analogs

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Popular Name: (2R)-2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-1-(1-piperidyl)propan-1-one (2R)-2-[2-[(1S)-1-aminoethyl]-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)	0.86	7.19	-44.06	3	4	1	57	291.415	4	↓ MOL2 SDF SMILES Flexibase

35629394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-1-(1-piperidyl)ethanone 2-[2-[(1R)-1-aminoethyl]-4-methy…

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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)	0.50	6.85	-44.65	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase

35629395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-1-(1-piperidyl)ethanone 2-[2-[(1S)-1-aminoethyl]-4-methy…

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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)	0.50	6.87	-44.87	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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