ZINC 12

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)	3.62	10.23	-48.51	2	5	1	54	360.522	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.44	9.31	-35.92	1	5	0	60	359.514	8	↓ MOL2 SDF SMILES Flexibase

52337544

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(2,6-difluorophenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	4.12	7.56	-41.76	3	3	1	46	297.369	5	↓ MOL2 SDF SMILES Flexibase

52337545

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(2,6-difluorophenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	4.12	7.64	-41.24	3	3	1	46	297.369	5	↓ MOL2 SDF SMILES Flexibase

52337547

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(2,6-dichlorophenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	5.15	8.72	-40.69	3	3	1	46	330.279	5	↓ MOL2 SDF SMILES Flexibase

52337550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(2,6-dichlorophenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	5.15	8.79	-40.22	3	3	1	46	330.279	5	↓ MOL2 SDF SMILES Flexibase

52337553

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(5-chloro-2-methyl-phenyl)-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)	4.94	8.74	-46.04	3	3	1	46	309.861	5	↓ MOL2 SDF SMILES Flexibase

52337555

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(5-chloro-2-methyl-phenyl)-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)	4.94	8.7	-46.05	3	3	1	46	309.861	5	↓ MOL2 SDF SMILES Flexibase

52337789

Analogs

7092123
7092126
7092128

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylethyl]amino]-N-phenyl-propanamide (2S)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.85	7.85	-39.48	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52337792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R)-1-cyclohexylethyl]amino]-N-phenyl-propanamide (2S)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.85	7.92	-39.62	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52337795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylethyl]amino]-N-phenyl-propanamide (2R)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.85	7.79	-38.81	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52337797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylethyl]amino]-N-phenyl-propanamide (2R)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.85	7.78	-39.46	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52338042

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-phenyl-acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	3.89	7.33	-43.62	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

52338046

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenyl-acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	3.89	7.3	-43.67	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

52338049

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(4-methoxyphenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	3.94	6.63	-45.71	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

52338050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(4-methoxyphenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	3.94	6.58	-45.83	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

52338053

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-fluorophenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	4.00	7.44	-42.24	3	3	1	46	279.379	5	↓ MOL2 SDF SMILES Flexibase

52338055

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-fluorophenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	4.00	7.39	-42.43	3	3	1	46	279.379	5	↓ MOL2 SDF SMILES Flexibase

52338058

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(2-chlorophenyl)-2-[[(1S)-1-cy…

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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)	4.52	7.96	-41.68	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

52338062

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(2-chlorophenyl)-2-[[(1R)-1-cy…

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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)	4.52	7.92	-41.9	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

52338063

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(2-bromophenyl)-2-[[(1S)-1-cyc…

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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)	4.65	8.09	-41.57	3	3	1	46	340.285	5	↓ MOL2 SDF SMILES Flexibase

52338067

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(2-bromophenyl)-2-[[(1R)-1-cyc…

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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)	4.65	8.06	-41.78	3	3	1	46	340.285	5	↓ MOL2 SDF SMILES Flexibase

52338068

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(4-fluorophenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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	7.4	-47.01	3	3	1	46	279.379	5	↓ MOL2 SDF SMILES Flexibase

52338071

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(4-fluorophenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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	7.36	-47.09	3	3	1	46	279.379	5	↓ MOL2 SDF SMILES Flexibase

52338073

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(4-bromophenyl)-2-[[(1S)-1-cyc…

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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)	4.70	7.95	-46.22	3	3	1	46	340.285	5	↓ MOL2 SDF SMILES Flexibase

52338076

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(4-bromophenyl)-2-[[(1R)-1-cyc…

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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)	4.70	7.92	-46.34	3	3	1	46	340.285	5	↓ MOL2 SDF SMILES Flexibase

52338079

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-fluorophenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	4.03	7.4	-47.06	3	3	1	46	279.379	5	↓ MOL2 SDF SMILES Flexibase

52338082

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(3-fluorophenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	4.03	7.47	-46.53	3	3	1	46	279.379	5	↓ MOL2 SDF SMILES Flexibase

52338090

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(4-chlorophenyl)-2-[[(1S)-1-cy…

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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)	4.57	7.85	-46.09	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

52338092

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(4-chlorophenyl)-2-[[(1R)-1-cy…

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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)	4.57	7.81	-46.17	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

52338094

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	3.92	6.64	-45.84	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

52338097

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	3.92	6.71	-45.36	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

52338098

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyphenyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	3.90	6.75	-41.63	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

52338103

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methoxyphenyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	3.90	6.71	-41.83	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

52338106

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(3-chlorophenyl)-2-[[(1S)-1-cy…

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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	7.85	-45.88	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

52338108

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(3-chlorophenyl)-2-[[(1R)-1-cy…

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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	7.94	-45.47	3	3	1	46	295.834	5	↓ MOL2 SDF SMILES Flexibase

52338110

Analogs

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Popular Name: N-(3-bromophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]acetamide N-(3-bromophenyl)-2-[[(1S)-1-cyc…

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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)	4.67	7.95	-45.88	3	3	1	46	340.285	5	↓ MOL2 SDF SMILES Flexibase

52338114

Analogs

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Popular Name: N-(3-bromophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]acetamide N-(3-bromophenyl)-2-[[(1R)-1-cyc…

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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)	4.67	8.04	-45.39	3	3	1	46	340.285	5	↓ MOL2 SDF SMILES Flexibase

52338116

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(p-tolyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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	8	-43.61	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52338120

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(p-tolyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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	7.97	-43.65	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52338122

Analogs

7092143
7092144
7092147
7092149

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(m-tolyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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	7.99	-43.64	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52338125

Analogs

7092143
7092144
7092147
7092149

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(m-tolyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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	8.08	-43.14	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52338128

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-N-(o-tolyl)acetamide 2-[[(1S)-1-cyclohexylethyl]amino…

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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)	4.29	8.22	-43.98	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52338129

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-N-(o-tolyl)acetamide 2-[[(1R)-1-cyclohexylethyl]amino…

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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)	4.29	8.18	-44	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52339460

Analogs

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylpropyl]amino]-N-phenyl-propanamide (2S)-2-[[(1S)-1-cyclohexylpropyl…

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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	8.42	-39.1	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

52339462

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylpropyl]amino]-N-phenyl-propanamide (2S)-2-[[(1R)-1-cyclohexylpropyl…

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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	8.45	-37.35	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

52339465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylpropyl]amino]-N-phenyl-propanamide (2R)-2-[[(1S)-1-cyclohexylpropyl…

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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	8.61	-38.16	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

52339468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylpropyl]amino]-N-phenyl-propanamide (2R)-2-[[(1R)-1-cyclohexylpropyl…

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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	8.25	-39.82	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

52339837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclohexylpropyl]amino]-N-phenyl-acetamide 2-[[(1S)-1-cyclohexylpropyl]amin…

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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)	4.42	7.98	-41.24	3	3	1	46	275.416	6	↓ MOL2 SDF SMILES Flexibase

52339840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylpropyl]amino]-N-phenyl-acetamide 2-[[(1R)-1-cyclohexylpropyl]amin…

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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)	4.42	7.98	-41.24	3	3	1	46	275.416	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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