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ZINC Item

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40336854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 5-amino-2-chloro-N-[(2S)-2-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)	2.50	6.75	-43.19	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 5-amino-2-chloro-N-[(2R)-2-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)	2.50	6.73	-43.15	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-4-chloro-N-[(2S)-2-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)	2.90	7.07	-40.65	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-4-chloro-N-[(2R)-2-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)	2.90	7.07	-40.57	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 4-amino-2-chloro-N-[(2S)-2-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)	2.50	6.75	-43.19	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 4-amino-2-chloro-N-[(2R)-2-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)	2.50	6.73	-43.12	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-5-chloro-N-[(2S)-2-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)	2.90	7.07	-38.68	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336868

Analogs

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Popular Name: 2-amino-5-chloro-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-5-chloro-N-[(2R)-2-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)	2.90	7.07	-38.59	4	4	1	60	310.849	5	↓ MOL2 SDF SMILES Flexibase

40336870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 3-amino-2-methyl-N-[(2R)-2-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)	2.65	7.02	-40.58	4	4	1	60	290.431	5	↓ MOL2 SDF SMILES Flexibase

40336872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 3-amino-2-methyl-N-[(2S)-2-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)	2.65	7.02	-40.5	4	4	1	60	290.431	5	↓ MOL2 SDF SMILES Flexibase

40336878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-3-methyl-N-[(2R)-2-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)	2.65	7.32	-39.71	4	4	1	60	290.431	5	↓ MOL2 SDF SMILES Flexibase

40336880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-3-methyl-N-[(2S)-2-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)	2.65	7.32	-39.75	4	4	1	60	290.431	5	↓ MOL2 SDF SMILES Flexibase

40336882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-6-methyl-N-[(2R)-2-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)	2.65	6.63	-40.32	4	4	1	60	290.431	5	↓ MOL2 SDF SMILES Flexibase

40336883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 2-amino-6-methyl-N-[(2S)-2-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)	2.65	6.65	-40.18	4	4	1	60	290.431	5	↓ MOL2 SDF SMILES Flexibase

40336885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 3-amino-4-fluoro-N-[(2S)-2-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)	2.39	6.31	-42.63	4	4	1	60	294.394	5	↓ MOL2 SDF SMILES Flexibase

40336887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 3-amino-4-fluoro-N-[(2R)-2-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)	2.39	6.31	-42.63	4	4	1	60	294.394	5	↓ MOL2 SDF SMILES Flexibase

40336893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 5-amino-2-fluoro-N-[(2S)-2-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)	1.98	6.31	-45.64	4	4	1	60	294.394	5	↓ MOL2 SDF SMILES Flexibase

40336895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 5-amino-2-fluoro-N-[(2R)-2-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)	1.98	6.29	-45.63	4	4	1	60	294.394	5	↓ MOL2 SDF SMILES Flexibase

40336918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-bromo-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 3-amino-4-bromo-N-[(2S)-2-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)	3.04	6.92	-41.8	4	4	1	60	355.3	5	↓ MOL2 SDF SMILES Flexibase

40336921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-bromo-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 3-amino-4-bromo-N-[(2R)-2-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)	3.04	6.92	-41.82	4	4	1	60	355.3	5	↓ MOL2 SDF SMILES Flexibase

40336923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 2,4-diamino-N-[(2S)-2-methyl-3-(…

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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)	1.30	4.45	-40.22	6	5	1	86	291.419	5	↓ MOL2 SDF SMILES Flexibase

40336925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 2,4-diamino-N-[(2R)-2-methyl-3-(…

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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)	1.30	4.43	-40.24	6	5	1	86	291.419	5	↓ MOL2 SDF SMILES Flexibase

40336927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-diamino-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]benzamide 3,5-diamino-N-[(2S)-2-methyl-3-(…

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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)	0.90	4.08	-42.34	6	5	1	86	291.419	5	↓ MOL2 SDF SMILES Flexibase

40336929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-diamino-N-[(2R)-2-methyl-3-(1-piperidyl)propyl]benzamide 3,5-diamino-N-[(2R)-2-methyl-3-(…

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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)	0.90	4.08	-42.34	6	5	1	86	291.419	5	↓ MOL2 SDF SMILES Flexibase

52954878

Analogs

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Popular Name: 5-ethoxy-4-methoxy-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-2-nitro-benzamide 5-ethoxy-4-methoxy-N-[3-[(2S)-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)	2.58	9.91	-51.57	2	8	1	98	380.465	9	↓ MOL2 SDF SMILES Flexibase

52954881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethoxy-4-methoxy-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-2-nitro-benzamide 5-ethoxy-4-methoxy-N-[3-[(2R)-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)	2.58	9.91	-51.59	2	8	1	98	380.465	9	↓ MOL2 SDF SMILES Flexibase

52955239

Analogs

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Popular Name: 4-(2-methoxyethylamino)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-3-nitro-benzamide 4-(2-methoxyethylamino)-N-[3-[(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)	2.40	7.67	-52.99	3	8	1	101	379.481	10	↓ MOL2 SDF SMILES Flexibase

52955240

Analogs

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Popular Name: 4-(2-methoxyethylamino)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-3-nitro-benzamide 4-(2-methoxyethylamino)-N-[3-[(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)	2.40	7.67	-52.95	3	8	1	101	379.481	10	↓ MOL2 SDF SMILES Flexibase

52955331

Analogs

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Popular Name: 3,5-diacetamido-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]benzamide 3,5-diacetamido-N-[3-[(2R)-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)	1.03	5.81	-55.57	4	7	1	92	375.493	7	↓ MOL2 SDF SMILES Flexibase

52955333

Analogs

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Popular Name: 3,5-diacetamido-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]benzamide 3,5-diacetamido-N-[3-[(2S)-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)	1.03	5.81	-55.6	4	7	1	92	375.493	7	↓ MOL2 SDF SMILES Flexibase

53370686

Analogs

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Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-3-(prop-2-ynylsulfamoyl)benzamide N-[3-[(2R)-2-methyl-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)	1.87	5.54	-51.16	3	6	1	80	378.518	8	↓ MOL2 SDF SMILES Flexibase

53370688

Analogs

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Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-3-(prop-2-ynylsulfamoyl)benzamide N-[3-[(2S)-2-methyl-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)	1.87	5.54	-51.08	3	6	1	80	378.518	8	↓ MOL2 SDF SMILES Flexibase

53370746

Analogs

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Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-5-methylsulfanyl-2-nitro-benzamide N-[3-[(2R)-2-methyl-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)	2.99	10.45	-44.98	2	6	1	79	352.48	7	↓ MOL2 SDF SMILES Flexibase

53370749

Analogs

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Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-5-methylsulfanyl-2-nitro-benzamide N-[3-[(2S)-2-methyl-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)	2.99	10.45	-45.2	2	6	1	79	352.48	7	↓ MOL2 SDF SMILES Flexibase

19994204

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]benzamide 3-chloro-4-hydroxy-N-[3-[(2R)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	5.79	-46.82	3	4	1	54	311.833	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.06	6.45	-66.73	2	4	0	57	310.825	5	↓ MOL2 SDF SMILES Flexibase

19994207

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]benzamide 3-chloro-4-hydroxy-N-[3-[(2S)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	5.81	-44.15	3	4	1	54	311.833	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.06	6.47	-63.95	2	4	0	57	310.825	5	↓ MOL2 SDF SMILES Flexibase

36137230

Analogs

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Popular Name: 2-amino-N-[3-(4-methyl-1-piperidyl)propyl]benzamide 2-amino-N-[3-(4-methyl-1-piperid…

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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)	2.02	6.39	-41.86	4	4	1	60	276.404	5	↓ MOL2 SDF SMILES Flexibase

36137593

Analogs

37792328
37796172
37796271

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Popular Name: 2-[3-(1-piperidyl)propylcarbamoyl]benzoic 2-[3-(1-piperidyl)propylcarbamoy…

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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)	1.86	8.82	-78.01	2	5	0	74	290.363	6	↓ MOL2 SDF SMILES Flexibase

22695715

Analogs

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Popular Name: N-[3-(1-piperidyl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide N-[3-(1-piperidyl)propyl]-4-(pro…

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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)	1.57	5.2	-55.1	3	6	1	80	364.491	8	↓ MOL2 SDF SMILES Flexibase

22695894

Analogs

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Popular Name: 3-chloro-4,5-dimethoxy-N-[3-(4-methyl-1-piperidyl)propyl]benzamide 3-chloro-4,5-dimethoxy-N-[3-(4-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)	3.03	8.1	-47.89	2	5	1	52	355.886	7	↓ MOL2 SDF SMILES Flexibase

22696028

Analogs

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Popular Name: 2-methoxy-N-[3-(4-methyl-1-piperidyl)propyl]-5-nitro-benzamide 2-methoxy-N-[3-(4-methyl-1-piper…

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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)	3.07	9.47	-48.13	2	7	1	89	336.412	7	↓ MOL2 SDF SMILES Flexibase

13668873

Analogs

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Popular Name: 2-bromo-N-[3-(4-methyl-1-piperidyl)propyl]benzamide 2-bromo-N-[3-(4-methyl-1-piperid…

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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)	3.34	8.85	-44.65	2	3	1	34	340.285	5	↓ MOL2 SDF SMILES Flexibase

13668983

Analogs

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Popular Name: 2-methoxy-N-[3-(4-methyl-1-piperidyl)propyl]benzamide 2-methoxy-N-[3-(4-methyl-1-piper…

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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)	3.14	8.79	-45.82	2	4	1	43	291.415	6	↓ MOL2 SDF SMILES Flexibase

13669109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methyl-1-piperidyl)propyl]-3-nitro-benzamide N-[3-(4-methyl-1-piperidyl)propy…

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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)	2.52	8.89	-54.57	2	6	1	79	306.386	6	↓ MOL2 SDF SMILES Flexibase

13669373

Analogs

37982042

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Popular Name: N-[3-[(2R)-2-ethyl-1-piperidyl]propyl]-2-fluoro-benzamide N-[3-[(2R)-2-ethyl-1-piperidyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.32	8.9	-44.95	2	3	1	34	293.406	6	↓ MOL2 SDF SMILES Flexibase

13669374

Analogs

37982042

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Popular Name: N-[3-[(2S)-2-ethyl-1-piperidyl]propyl]-2-fluoro-benzamide N-[3-[(2S)-2-ethyl-1-piperidyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.32	8.71	-46.18	2	3	1	34	293.406	6	↓ MOL2 SDF SMILES Flexibase

13669392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-N-[3-(4-methyl-1-piperidyl)propyl]benzamide 2,6-dimethoxy-N-[3-(4-methyl-1-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)	2.60	6.79	-44.26	2	5	1	52	321.441	7	↓ MOL2 SDF SMILES Flexibase

13669473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-[(2R)-2-ethyl-1-piperidyl]propyl]-5-nitro-benzamide 2-chloro-N-[3-[(2R)-2-ethyl-1-pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	10.01	-41.38	2	6	1	79	354.858	7	↓ MOL2 SDF SMILES Flexibase

13669474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-[(2S)-2-ethyl-1-piperidyl]propyl]-5-nitro-benzamide 2-chloro-N-[3-[(2S)-2-ethyl-1-pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	9.82	-42.48	2	6	1	79	354.858	7	↓ MOL2 SDF SMILES Flexibase

13669584

Analogs

37859941

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[3-[(2R)-2-ethyl-1-piperidyl]propyl]benzamide 2-bromo-N-[3-[(2R)-2-ethyl-1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	9.45	-41.77	2	3	1	34	354.312	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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