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ZINC Item

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51482454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[3-[3-(hydroxymethyl)anilino]-3-oxo-propyl]benzamide 4-fluoro-N-[3-[3-(hydroxymethyl)…

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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	3.02	-21.81	3	5	0	78	316.332	6	↓ MOL2 SDF SMILES Flexibase

20899741

Analogs

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Popular Name: N-[3-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-oxo-propyl]-2-methoxy-benzamide N-[3-[[3,5-bis(trifluoromethyl)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)	4.48	8.14	-27.71	2	5	0	67	434.336	8	↓ MOL2 SDF SMILES Flexibase

36333646

Analogs

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Popular Name: N-[3-(3,4-dipropoxyanilino)-3-oxo-propyl]-2-methoxy-benzamide N-[3-(3,4-dipropoxyanilino)-3-ox…

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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	8.82	-24.31	2	7	0	86	414.502	12	↓ MOL2 SDF SMILES Flexibase

36636332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxo-propyl]benzamide 4-bromo-N-[3-[3-chloro-4-(difluo…

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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)	4.23	6.39	-21.31	2	5	0	67	447.663	7	↓ MOL2 SDF SMILES Flexibase

22690328

Analogs

6328989

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[3-oxo-3-[[4-(trifluoromethoxy)phenyl]amino]propyl]benzamide 4-bromo-N-[3-oxo-3-[[4-(trifluor…

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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)	3.98	5.99	-22.23	2	5	0	67	431.208	7	↓ MOL2 SDF SMILES Flexibase

12854675

Analogs

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Popular Name: 4-tert-butyl-N-[3-[[3-(dimethylsulfamoyl)-4-methoxy-phenyl]amino]-3-oxo-propyl]benzamide 4-tert-butyl-N-[3-[[3-(dimethyls…

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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)	3.21	5.83	-31.68	2	8	0	105	461.584	9	↓ MOL2 SDF SMILES Flexibase

13011862

Analogs

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Popular Name: 4-bromo-N-[3-[(4-methylsulfonylphenyl)amino]-3-oxo-propyl]benzamide 4-bromo-N-[3-[(4-methylsulfonylp…

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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)	1.88	3.8	-27.07	2	6	0	92	425.304	6	↓ MOL2 SDF SMILES Flexibase

13013178

Analogs

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Popular Name: N-[3-[(4-carbamoylphenyl)amino]-3-oxo-propyl]-4-chloro-N-ethyl-2-fluoro-benzamide N-[3-[(4-carbamoylphenyl)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)	1.94	5.56	-20.49	3	6	0	93	391.83	7	↓ MOL2 SDF SMILES Flexibase

22743323

Analogs

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Popular Name: N-[3-[(2-ethylphenyl)amino]-3-oxo-propyl]-2,4-difluoro-benzamide N-[3-[(2-ethylphenyl)amino]-3-ox…

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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	7.37	-26.31	2	4	0	58	332.35	6	↓ MOL2 SDF SMILES Flexibase

22753860

Analogs

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Popular Name: N-[3-[[3-(difluoromethoxy)-4-methoxy-phenyl]amino]-3-oxo-propyl]-2,4-difluoro-benzamide N-[3-[[3-(difluoromethoxy)-4-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)	2.66	5.22	-29.5	2	6	0	77	400.328	8	↓ MOL2 SDF SMILES Flexibase

22761001

Analogs

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Popular Name: 4-chloro-N-[3-[(3-ethynylphenyl)amino]-3-oxo-propyl]benzamide 4-chloro-N-[3-[(3-ethynylphenyl)…

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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)	2.62	7.31	-27.02	2	4	0	58	326.783	5	↓ MOL2 SDF SMILES Flexibase

22761041

Analogs

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Popular Name: N-[3-[(3-ethynylphenyl)amino]-3-oxo-propyl]-3-methyl-benzamide N-[3-[(3-ethynylphenyl)amino]-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)	2.37	7.45	-28.09	2	4	0	58	306.365	5	↓ MOL2 SDF SMILES Flexibase

22766737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]amino]-3-oxo-propyl]-2-methoxy-benzamide N-[3-[[5-(diethylsulfamoyl)-2-me…

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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)	2.81	5.31	-35.04	2	9	0	114	463.556	11	↓ MOL2 SDF SMILES Flexibase

22993681

Analogs

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Popular Name: 2,4-difluoro-N-[3-[(3-methanesulfonamido-4-methoxy-phenyl)amino]-3-oxo-propyl]benzamide 2,4-difluoro-N-[3-[(3-methanesul…

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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	1.88	-32.55	3	8	0	114	427.429	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.68	1.91	-59.31	2	8	-1	116	426.421	8	↓ MOL2 SDF SMILES Flexibase

23003827

Analogs

34976158

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Popular Name: N-[3-(butyl-phenyl-amino)-3-oxo-propyl]-2-methoxy-benzamide N-[3-(butyl-phenyl-amino)-3-oxo-…

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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)	3.78	10.31	-24.53	1	5	0	59	354.45	9	↓ MOL2 SDF SMILES Flexibase

23025167

Analogs

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Popular Name: N-[3-[(4-carbamoylphenyl)amino]-3-oxo-propyl]-N-ethyl-4-methylamino-3-nitro-benzamide N-[3-[(4-carbamoylphenyl)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)	0.92	4.41	-27.42	4	10	0	150	413.434	9	↓ MOL2 SDF SMILES Flexibase

23039585

Analogs

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Popular Name: N-[3-[(4-bromo-2-fluoro-phenyl)amino]-3-oxo-propyl]-2-methoxy-benzamide N-[3-[(4-bromo-2-fluoro-phenyl)a…

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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)	3.66	6.89	-22.82	2	5	0	67	395.228	6	↓ MOL2 SDF SMILES Flexibase

23040038

Analogs

33898963
33898965

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Popular Name: 4-bromo-N-[3-[(4-ethylphenyl)amino]-3-oxo-propyl]benzamide 4-bromo-N-[3-[(4-ethylphenyl)ami…

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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)	3.93	7.64	-22.27	2	4	0	58	375.266	6	↓ MOL2 SDF SMILES Flexibase

62587413

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	8.25	-16.78	2	6	0	85	473.245	8	↓ MOL2 SDF SMILES Flexibase

24987242

Analogs

26500502
26501077

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	6.36	-25.34	2	6	0	85	362.332	7	↓ MOL2 SDF SMILES Flexibase

14240597

Analogs

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Popular Name: N-[3-[(4-cyanophenyl)amino]-3-oxo-propyl]-4-nitro-benzamide N-[3-[(4-cyanophenyl)amino]-3-ox…

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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)	1.92	6.69	-24.06	2	8	0	128	338.323	6	↓ MOL2 SDF SMILES Flexibase

14245047

Analogs

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Popular Name: N-[3-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-3-oxo-propyl]-3-methyl-benzamide N-[3-[[5-(dimethylsulfamoyl)-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)	1.93	3.66	-27.55	2	8	0	105	419.503	8	↓ MOL2 SDF SMILES Flexibase

14254427

Analogs

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Popular Name: 4-tert-butyl-N-[3-[(5-chloro-2,4-dimethoxy-phenyl)amino]-3-oxo-propyl]benzamide 4-tert-butyl-N-[3-[(5-chloro-2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.56	7.22	-20.23	2	6	0	77	418.921	8	↓ MOL2 SDF SMILES Flexibase

3402600

Analogs

2630811

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[3-(2-ethyl-6-methyl-anilino)-3-keto-propyl]benzamide 4-chloro-N-[3-(2-ethyl-6-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)	3.21	-0.84	-16.78	2	4	0	58	344.842	6	↓ MOL2 SDF SMILES Flexibase

3403042

Analogs

34945055

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Popular Name: 4-chloro-N-[3-keto-3-[4-(trifluoromethyl)anilino]propyl]benzamide 4-chloro-N-[3-keto-3-[4-(trifluo…

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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)	3.78	0.25	-18.63	2	4	0	58	370.758	6	↓ MOL2 SDF SMILES Flexibase

14576305

Analogs

25458355
25458360

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Popular Name: N-[3-[[3-(diethylsulfamoyl)-4-ethoxy-phenyl]amino]-3-oxo-propyl]benzamide N-[3-[[3-(diethylsulfamoyl)-4-et…

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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)	2.63	6.22	-32.49	2	8	0	105	447.557	11	↓ MOL2 SDF SMILES Flexibase

14582834

Analogs

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Popular Name: 4-chloro-N-[3-oxo-3-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]propyl]benzamide 4-chloro-N-[3-oxo-3-[[2-propoxy-…

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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)	4.64	8.31	-18.14	2	5	0	67	428.838	9	↓ MOL2 SDF SMILES Flexibase

14582837

Analogs

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Popular Name: N-[3-oxo-3-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]propyl]benzamide N-[3-oxo-3-[[2-propoxy-5-(triflu…

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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)	3.96	7.79	-19.23	2	5	0	67	394.393	9	↓ MOL2 SDF SMILES Flexibase

15354498

Analogs

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Popular Name: N-[3-[(2,4-dimethylphenyl)amino]-3-oxo-propyl]-2-methoxy-benzamide N-[3-[(2,4-dimethylphenyl)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)	3.59	7.71	-22.24	2	5	0	67	326.396	6	↓ MOL2 SDF SMILES Flexibase

15700028

Analogs

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Popular Name: 4-bromo-N-[3-[(3-iodophenyl)amino]-3-oxo-propyl]benzamide 4-bromo-N-[3-[(3-iodophenyl)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)	4.07	7.36	-18.97	2	4	0	58	473.108	5	↓ MOL2 SDF SMILES Flexibase

15940272

Analogs

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Popular Name: 4-bromo-N-[3-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-3-oxo-propyl]benzamide 4-bromo-N-[3-[[5-(dimethylsulfam…

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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)	2.31	3.66	-26.18	2	8	0	105	484.372	8	↓ MOL2 SDF SMILES Flexibase

69055233

Analogs

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Popular Name: N-[3-[2-(difluoromethoxy)anilino]-3-oxo-propyl]benzamide N-[3-[2-(difluoromethoxy)anilino…

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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)	2.77	5.32	-19.88	2	5	0	67	334.322	7	↓ MOL2 SDF SMILES Flexibase

69247355

Analogs

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Popular Name: N-[3-[5-chloro-2-(dimethylamino)anilino]-3-oxo-propyl]benzamide N-[3-[5-chloro-2-(dimethylamino)…

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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)	2.91	7.36	-18.28	2	5	0	61	345.83	6	↓ MOL2 SDF SMILES Flexibase

65526179

Analogs

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Popular Name: 5-acetamido-2-chloro-N-[3-(2-ethylanilino)-3-oxo-propyl]benzamide 5-acetamido-2-chloro-N-[3-(2-eth…

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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	6.72	-24.89	3	6	0	87	387.867	7	↓ MOL2 SDF SMILES Flexibase

55618468

Analogs

42699950

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Popular Name: N-[3-(2-ethoxy-4-methyl-anilino)-3-oxo-propyl]-2,4-difluoro-benzamide N-[3-(2-ethoxy-4-methyl-anilino)…

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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)	3.27	6.8	-20.75	2	5	0	67	362.376	7	↓ MOL2 SDF SMILES Flexibase

55639327

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55639324

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Popular Name: 2,4-difluoro-N-[3-[4-[(1S)-1-methylpropoxy]anilino]-3-oxo-propyl]benzamide 2,4-difluoro-N-[3-[4-[(1S)-1-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)	3.76	7.47	-23.64	2	5	0	67	376.403	8	↓ MOL2 SDF SMILES Flexibase

55640664

Analogs

55640656
55640658
55640662

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-3-[4-[(1S)-1-methylpropoxy]anilino]-3-oxo-propyl]benzamide N-[(1S)-1-methyl-3-[4-[(1S)-1-me…

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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)	5.06	8.48	-19.65	2	5	0	67	354.45	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 19147
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 19147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "19147"        

    });
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