ZINC 12

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ZINC Item

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11838757

Analogs

11838758

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-4-isopropoxy-benzamide N-[[(3S)-8-[(2-fluorophenyl)meth…

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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)	4.31	0.01	-41.98	2	5	1	52	441.567	7	↓ MOL2 SDF SMILES Flexibase

11838758

Analogs

11838757

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-4-isopropoxy-benzamide N-[[(3R)-8-[(2-fluorophenyl)meth…

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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)	4.31	-0.25	-44.8	2	5	1	52	441.567	7	↓ MOL2 SDF SMILES Flexibase

11839366

Analogs

11839367

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Popular Name: N-[[(3S)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3,5-dimethoxy-benzamide N-[[(3S)-8-[(2-fluorophenyl)meth…

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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)	3.55	-0.42	-43.16	2	6	1	61	443.539	7	↓ MOL2 SDF SMILES Flexibase

11839367

Analogs

11839366

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3,5-dimethoxy-benzamide N-[[(3R)-8-[(2-fluorophenyl)meth…

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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)	3.55	-0.55	-45.33	2	6	1	61	443.539	7	↓ MOL2 SDF SMILES Flexibase

11839556

Analogs

11839558

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Popular Name: N-[[(2S)-8-[(3-ethoxy-4-hydroxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3-ethoxy-4-hydroxy-…

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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)	3.11	-2.79	-53.68	3	6	1	72	425.549	7	↓ MOL2 SDF SMILES Flexibase

11839558

Analogs

11839556

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-8-[(3-ethoxy-4-hydroxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3-ethoxy-4-hydroxy-…

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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)	3.11	-2.69	-53.03	3	6	1	72	425.549	7	↓ MOL2 SDF SMILES Flexibase

11840486

Analogs

11840489

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Popular Name: N-[[(2S)-8-[(3,5-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3,5-dimethoxyphenyl…

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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	-1.06	-48.05	2	6	1	61	425.549	7	↓ MOL2 SDF SMILES Flexibase

11840489

Analogs

11840486

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-8-[(3,5-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3,5-dimethoxyphenyl…

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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	-1.05	-48.01	2	6	1	61	425.549	7	↓ MOL2 SDF SMILES Flexibase

11840581

Analogs

11840583

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Popular Name: N-[[(3S)-8-[[3-(trifluoromethyl)phenyl]methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3S)-8-[[3-(trifluoromethyl)…

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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)	4.26	0.97	-51.41	2	4	1	43	433.494	6	↓ MOL2 SDF SMILES Flexibase

11840583

Analogs

11840581

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-8-[[3-(trifluoromethyl)phenyl]methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3R)-8-[[3-(trifluoromethyl)…

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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)	4.26	1.08	-50.94	2	4	1	43	433.494	6	↓ MOL2 SDF SMILES Flexibase

11973264

Analogs

11973272
14883012
14883013

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Popular Name: 3-fluoro-N-[[(2S)-8-[(4-hydroxy-2-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benz 3-fluoro-N-[[(2S)-8-[(4-hydroxy-…

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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)	3.04	-2.28	-42.18	3	6	1	72	429.512	6	↓ MOL2 SDF SMILES Flexibase

11973272

Analogs

14883012
14883013
11973264

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(2R)-8-[(4-hydroxy-2-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benz 3-fluoro-N-[[(2R)-8-[(4-hydroxy-…

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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)	3.04	-2.19	-46.14	3	6	1	72	429.512	6	↓ MOL2 SDF SMILES Flexibase

11995157

Analogs

11995158

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-8-[(2,6-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluoro-benzamide N-[[(2S)-8-[(2,6-dimethoxyphenyl…

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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)	3.55	-0.11	-34.09	2	6	1	61	443.539	7	↓ MOL2 SDF SMILES Flexibase

11995158

Analogs

11995157

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-8-[(2,6-dimethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluoro-benzamide N-[[(2R)-8-[(2,6-dimethoxyphenyl…

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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)	3.55	0.03	-39.06	2	6	1	61	443.539	7	↓ MOL2 SDF SMILES Flexibase

11995275

Analogs

11995276

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Popular Name: 2-dimethylamino-N-[[(3S)-8-[(2-methoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamid 2-dimethylamino-N-[[(3S)-8-[(2-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)	3.46	-0.99	-41.72	2	6	1	55	438.592	7	↓ MOL2 SDF SMILES Flexibase

11995276

Analogs

11995275

Draw Identity 99% 90% 80% 70%

Popular Name: 2-dimethylamino-N-[[(3R)-8-[(2-methoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamid 2-dimethylamino-N-[[(3R)-8-[(2-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)	3.46	-0.91	-39.06	2	6	1	55	438.592	7	↓ MOL2 SDF SMILES Flexibase

11995813

Analogs

11995814

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-8-[(2-hydroxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3S)-8-[(2-hydroxyphenyl)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)	3.33	-3.03	-44.41	3	5	1	63	381.496	5	↓ MOL2 SDF SMILES Flexibase

11995814

Analogs

11995813

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-8-[(2-hydroxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3R)-8-[(2-hydroxyphenyl)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)	3.33	-2.79	-45.25	3	5	1	63	381.496	5	↓ MOL2 SDF SMILES Flexibase

11996530

Analogs

11996531

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3-methoxyphenyl)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)	3.43	-1.17	-47.28	2	5	1	52	395.523	6	↓ MOL2 SDF SMILES Flexibase

11996531

Analogs

11996530

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3-methoxyphenyl)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)	3.43	-1.07	-46.76	2	5	1	52	395.523	6	↓ MOL2 SDF SMILES Flexibase

12003030

Analogs

12003036

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-8-[(2-hydroxy-5-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(2-hydroxy-5-methoxy…

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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)	3.37	-2.87	-45.3	3	6	1	72	411.522	6	↓ MOL2 SDF SMILES Flexibase

12003036

Analogs

12003030

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-8-[(2-hydroxy-5-methoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(2-hydroxy-5-methoxy…

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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)	3.37	-2.75	-47.62	3	6	1	72	411.522	6	↓ MOL2 SDF SMILES Flexibase

12022898

Analogs

12022906

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Popular Name: 3-chloro-4-fluoro-N-[[(2S)-8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam 3-chloro-4-fluoro-N-[[(2S)-8-[(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)	4.17	-0.48	-39.24	2	5	1	52	447.958	6	↓ MOL2 SDF SMILES Flexibase

12022906

Analogs

12022898

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-fluoro-N-[[(2R)-8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam 3-chloro-4-fluoro-N-[[(2R)-8-[(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)	4.17	-0.53	-39.85	2	5	1	52	447.958	6	↓ MOL2 SDF SMILES Flexibase

12024463

Analogs

12024471

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-8-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(2-chloro-4,5-dimeth…

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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)	3.65	-0.73	-47.23	2	6	1	61	459.994	7	↓ MOL2 SDF SMILES Flexibase

12024471

Analogs

12024463

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-8-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(2-chloro-4,5-dimeth…

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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)	3.65	-0.74	-47.26	2	6	1	61	459.994	7	↓ MOL2 SDF SMILES Flexibase

12024890

Analogs

12024894

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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)	3.57	-0.06	-56.73	2	6	1	69	423.533	7	↓ MOL2 SDF SMILES Flexibase

12024894

Analogs

12024890

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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)	3.57	0.04	-56.91	2	6	1	69	423.533	7	↓ MOL2 SDF SMILES Flexibase

12036547

Analogs

12036550

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-8-[(3-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3S)-8-[(3-chlorophenyl)meth…

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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	-1.34	-49.06	2	4	1	43	399.942	5	↓ MOL2 SDF SMILES Flexibase

12036550

Analogs

12036547

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-8-[(3-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]benzamide N-[[(3R)-8-[(3-chlorophenyl)meth…

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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	-1.24	-48.52	2	4	1	43	399.942	5	↓ MOL2 SDF SMILES Flexibase

12041222

Analogs

12041224

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Popular Name: N-[[(2S)-8-[(3,4-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(3,4-dimethylphenyl)…

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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)	4.22	-0.58	-46.26	2	4	1	43	393.551	5	↓ MOL2 SDF SMILES Flexibase

12041224

Analogs

12041222

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Popular Name: N-[[(2R)-8-[(3,4-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(3,4-dimethylphenyl)…

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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)	4.22	-0.48	-45.67	2	4	1	43	393.551	5	↓ MOL2 SDF SMILES Flexibase

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