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ZINC Item

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53662445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-(2-aminoethyl)-N-methyl-N-[[(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)	0.74	6.08	-50.67	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

53662447

Analogs

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Popular Name: 3-(2-aminoethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-(2-aminoethyl)-N-methyl-N-[[(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)	0.74	5.43	-48.95	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

53662806

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(2S)-tetrah…

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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)	0.97	3.52	-49.61	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

53662808

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-(2-aminoethyl)-N-[[(2R)-tetrah…

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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)	0.97	3.57	-49.27	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

54414950

Analogs

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Popular Name: 3-amino-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-amino-4-nitro-N-[[(2S)-tetrahy…

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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)	1.38	3.49	-9.39	3	7	0	110	279.296	4	↓ MOL2 SDF SMILES Flexibase

54414951

Analogs

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Popular Name: 3-amino-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-amino-4-nitro-N-[[(2R)-tetrahy…

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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)	1.38	3.55	-9.24	3	7	0	110	279.296	4	↓ MOL2 SDF SMILES Flexibase

54414952

Analogs

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Popular Name: 3-(methylamino)-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-(methylamino)-4-nitro-N-[[(2S)…

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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)	1.75	4.45	-9.48	2	7	0	96	293.323	5	↓ MOL2 SDF SMILES Flexibase

54414953

Analogs

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Popular Name: 3-(methylamino)-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-(methylamino)-4-nitro-N-[[(2R)…

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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)	1.75	4.5	-9.28	2	7	0	96	293.323	5	↓ MOL2 SDF SMILES Flexibase

54414969

Analogs

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Popular Name: 3-amino-N-methyl-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-amino-N-methyl-4-nitro-N-[[(2S…

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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)	1.15	6.03	-11.85	2	7	0	101	293.323	4	↓ MOL2 SDF SMILES Flexibase

54414970

Analogs

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Popular Name: 3-amino-N-methyl-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-amino-N-methyl-4-nitro-N-[[(2R…

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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)	1.15	5.37	-9.17	2	7	0	101	293.323	4	↓ MOL2 SDF SMILES Flexibase

54415584

Analogs

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Popular Name: 3-hydrazino-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-hydrazino-4-nitro-N-[[(2S)-tet…

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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)	1.14	3.22	-10.15	4	8	0	122	294.311	5	↓ MOL2 SDF SMILES Flexibase

54415585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazino-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-hydrazino-4-nitro-N-[[(2R)-tet…

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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)	1.14	3.27	-9.84	4	8	0	122	294.311	5	↓ MOL2 SDF SMILES Flexibase

54416522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-fluoro-N-methyl-4-nitro-N-[[(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)	1.83	8.01	-14.79	0	6	0	75	296.298	4	↓ MOL2 SDF SMILES Flexibase

54416523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-fluoro-N-methyl-4-nitro-N-[[(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)	1.83	7.36	-11.63	0	6	0	75	296.298	4	↓ MOL2 SDF SMILES Flexibase

54416572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-fluoro-4-nitro-N-[[(2S)-tetrah…

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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)	2.06	5.45	-9.36	1	6	0	84	282.271	4	↓ MOL2 SDF SMILES Flexibase

54416573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-fluoro-4-nitro-N-[[(2R)-tetrah…

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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)	2.06	5.5	-9.24	1	6	0	84	282.271	4	↓ MOL2 SDF SMILES Flexibase

62820176

Analogs

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Popular Name: 2-(isopropylamino)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-(isopropylamino)-N-methyl-N-[[…

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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)	2.93	7.12	-6.98	1	4	0	42	290.407	5	↓ MOL2 SDF SMILES Flexibase

62820177

Analogs

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Popular Name: 2-(isopropylamino)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-(isopropylamino)-N-methyl-N-[[…

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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)	2.93	7.3	-9.28	1	4	0	42	290.407	5	↓ MOL2 SDF SMILES Flexibase

62820262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-(isopropylamino)-N-[[(2S)-tetr…

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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)	3.16	5.42	-7.09	2	4	0	50	276.38	5	↓ MOL2 SDF SMILES Flexibase

62820263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-(isopropylamino)-N-[[(2R)-tetr…

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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)	3.16	5.48	-6.95	2	4	0	50	276.38	5	↓ MOL2 SDF SMILES Flexibase

62823249

Analogs

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Popular Name: 2-amino-4-fluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-amino-4-fluoro-N-methyl-N-[[(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)	1.36	5.4	-8.41	2	4	0	56	266.316	3	↓ MOL2 SDF SMILES Flexibase

62823250

Analogs

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Popular Name: 2-amino-4-fluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-amino-4-fluoro-N-methyl-N-[[(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)	1.36	4.79	-6.27	2	4	0	56	266.316	3	↓ MOL2 SDF SMILES Flexibase

62823322

Analogs

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Popular Name: 2-amino-4-fluoro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-amino-4-fluoro-N-[[(2S)-tetrah…

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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	2.98	-6.27	3	4	0	64	252.289	3	↓ MOL2 SDF SMILES Flexibase

62823323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-amino-4-fluoro-N-[[(2R)-tetrah…

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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	3.04	-6.28	3	4	0	64	252.289	3	↓ MOL2 SDF SMILES Flexibase

63005970

Analogs

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Popular Name: 4-(ethylamino)-3,5-difluoro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 4-(ethylamino)-3,5-difluoro-N-[[…

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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)	2.43	4.39	-6.95	2	4	0	50	298.333	5	↓ MOL2 SDF SMILES Flexibase

63005971

Analogs

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Popular Name: 4-(ethylamino)-3,5-difluoro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 4-(ethylamino)-3,5-difluoro-N-[[…

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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)	2.43	4.44	-6.89	2	4	0	50	298.333	5	↓ MOL2 SDF SMILES Flexibase

63005973

Analogs

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Popular Name: 4-amino-3,5-difluoro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 4-amino-3,5-difluoro-N-[[(2S)-te…

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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)	1.68	2.77	-7.27	3	4	0	64	270.279	3	↓ MOL2 SDF SMILES Flexibase

63005974

Analogs

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Popular Name: 4-amino-3,5-difluoro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 4-amino-3,5-difluoro-N-[[(2R)-te…

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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)	1.68	2.82	-7.17	3	4	0	64	270.279	3	↓ MOL2 SDF SMILES Flexibase

63005975

Analogs

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Popular Name: 3,5-difluoro-4-(methylamino)-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-4-(methylamino)-N-[…

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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)	2.05	3.58	-7.34	2	4	0	50	284.306	4	↓ MOL2 SDF SMILES Flexibase

63005976

Analogs

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Popular Name: 3,5-difluoro-4-(methylamino)-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-4-(methylamino)-N-[…

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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)	2.05	3.63	-7.17	2	4	0	50	284.306	4	↓ MOL2 SDF SMILES Flexibase

63006041

Analogs

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Popular Name: 4-amino-3,5-difluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 4-amino-3,5-difluoro-N-methyl-N-…

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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)	1.45	5.34	-9.88	2	4	0	56	284.306	3	↓ MOL2 SDF SMILES Flexibase

63006042

Analogs

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Popular Name: 4-amino-3,5-difluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 4-amino-3,5-difluoro-N-methyl-N-…

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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)	1.45	4.69	-7.04	2	4	0	56	284.306	3	↓ MOL2 SDF SMILES Flexibase

63006045

Analogs

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Popular Name: 3,5-difluoro-N-methyl-4-(methylamino)-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-N-methyl-4-(methyla…

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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)	1.82	5.42	-6.95	1	4	0	42	298.333	4	↓ MOL2 SDF SMILES Flexibase

63006046

Analogs

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Popular Name: 3,5-difluoro-N-methyl-4-(methylamino)-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-N-methyl-4-(methyla…

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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)	1.82	5.55	-10.05	1	4	0	42	298.333	4	↓ MOL2 SDF SMILES Flexibase

63007571

Analogs

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Popular Name: 3,5-difluoro-4-hydrazino-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-4-hydrazino-N-[[(2S…

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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)	1.44	2.57	-8.38	4	5	0	76	285.294	4	↓ MOL2 SDF SMILES Flexibase

63007572

Analogs

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Popular Name: 3,5-difluoro-4-hydrazino-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-4-hydrazino-N-[[(2R…

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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)	1.44	2.62	-8.17	4	5	0	76	285.294	4	↓ MOL2 SDF SMILES Flexibase

63007583

Analogs

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Popular Name: 3,5-difluoro-4-hydrazino-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-4-hydrazino-N-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)	1.21	5.16	-10.83	3	5	0	68	299.321	4	↓ MOL2 SDF SMILES Flexibase

63007584

Analogs

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Popular Name: 3,5-difluoro-4-hydrazino-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3,5-difluoro-4-hydrazino-N-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)	1.21	4.5	-7.81	3	5	0	68	299.321	4	↓ MOL2 SDF SMILES Flexibase

63011709

Analogs

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Popular Name: 3,4,5-trifluoro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3,4,5-trifluoro-N-methyl-N-[[(2S…

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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	7.46	-9.46	0	3	0	30	287.281	3	↓ MOL2 SDF SMILES Flexibase

63011710

Analogs

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Popular Name: 3,4,5-trifluoro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3,4,5-trifluoro-N-methyl-N-[[(2R…

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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	6.81	-6.61	0	3	0	30	287.281	3	↓ MOL2 SDF SMILES Flexibase

63011769

Analogs

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Popular Name: 3,4,5-trifluoro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3,4,5-trifluoro-N-[[(2S)-tetrahy…

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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)	2.36	4.9	-7.03	1	3	0	38	273.254	3	↓ MOL2 SDF SMILES Flexibase

63011770

Analogs

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Popular Name: 3,4,5-trifluoro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3,4,5-trifluoro-N-[[(2R)-tetrahy…

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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)	2.36	4.95	-6.92	1	3	0	38	273.254	3	↓ MOL2 SDF SMILES Flexibase

67170581

Analogs

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Popular Name: 2-chloro-5-ethylsulfonyl-N-propyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-chloro-5-ethylsulfonyl-N-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)	2.51	7.9	-18.41	0	5	0	64	387.929	7	↓ MOL2 SDF SMILES Flexibase

67170582

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Popular Name: 2-chloro-5-ethylsulfonyl-N-propyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-chloro-5-ethylsulfonyl-N-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)	2.51	7.3	-17.48	0	5	0	64	387.929	7	↓ MOL2 SDF SMILES Flexibase

70197251

Analogs

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Popular Name: 2-chloro-N-methyl-4-nitro-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-chloro-N-methyl-4-nitro-N-[[(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)	2.35	8.43	-12.48	0	6	0	75	312.753	4	↓ MOL2 SDF SMILES Flexibase

70197252

Analogs

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Popular Name: 2-chloro-N-methyl-4-nitro-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-chloro-N-methyl-4-nitro-N-[[(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)	2.35	7.82	-9.87	0	6	0	75	312.753	4	↓ MOL2 SDF SMILES Flexibase

48946503

Analogs

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Popular Name: 3-amino-4-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 3-amino-4-chloro-N-methyl-N-[[(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)	1.87	5.73	-10.32	2	4	0	56	282.771	3	↓ MOL2 SDF SMILES Flexibase

48946504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 3-amino-4-chloro-N-methyl-N-[[(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)	1.87	5.09	-7.48	2	4	0	56	282.771	3	↓ MOL2 SDF SMILES Flexibase

48946507

Analogs

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Popular Name: 5-amino-2-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 5-amino-2-chloro-N-methyl-N-[[(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)	1.47	5.61	-12.54	2	4	0	56	282.771	3	↓ MOL2 SDF SMILES Flexibase

48946508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 5-amino-2-chloro-N-methyl-N-[[(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)	1.47	4.97	-9.91	2	4	0	56	282.771	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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