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ZINC Item

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44017761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-[[3-(trifluoromethoxy)phenyl]carbamoylamino]acetamide N-(3,4-difluorophenyl)-2-[[3-(tr…

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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)	3.82	4.14	-13.78	3	6	0	79	389.28	6	↓ MOL2 SDF SMILES Flexibase

44017771

Analogs

4509769

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(p-tolyl)acetamide 2-[methyl-[[3-(trifluoromethoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	7.35	-19.32	2	6	0	71	381.354	6	↓ MOL2 SDF SMILES Flexibase

44017852

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide N-(2-ethylphenyl)-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)	4.67	8.35	-18.07	2	6	0	71	395.381	7	↓ MOL2 SDF SMILES Flexibase

51482192

Analogs

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Popular Name: 2-[(4-bromophenyl)carbamoylamino]-N-[3-(hydroxymethyl)phenyl]acetamide 2-[(4-bromophenyl)carbamoylamino…

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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)	2.74	2.18	-13.67	4	6	0	90	378.226	5	↓ MOL2 SDF SMILES Flexibase

48453284

Analogs

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Popular Name: 2-[(2-bromo-4-fluoro-phenyl)carbamoyl-methyl-amino]-N-phenyl-acetamide 2-[(2-bromo-4-fluoro-phenyl)carb…

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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	7.71	-13.56	2	5	0	61	380.217	4	↓ MOL2 SDF SMILES Flexibase

36101690

Analogs

4561394

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Popular Name: 2-[(4-chlorophenyl)carbamoylamino]-N-phenyl-acetamide 2-[(4-chlorophenyl)carbamoylamin…

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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)	3.29	4.75	-10.72	3	5	0	70	303.749	4	↓ MOL2 SDF SMILES Flexibase

53353495

Analogs

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Popular Name: ethyl ethyl

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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)	3.54	7.91	-14.54	3	7	0	97	381.432	8	↓ MOL2 SDF SMILES Flexibase

53353497

Analogs

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Popular Name: ethyl ethyl

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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)	3.54	7.9	-14.79	3	7	0	97	381.432	8	↓ MOL2 SDF SMILES Flexibase

36147225

Analogs

36147229

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Popular Name: butyl butyl

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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	8.24	-13.25	3	7	0	97	383.448	9	↓ MOL2 SDF SMILES Flexibase

36147229

Analogs

36147225

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Popular Name: butyl butyl

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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	8.23	-13.52	3	7	0	97	383.448	9	↓ MOL2 SDF SMILES Flexibase

62301668

Analogs

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Popular Name: N-[2-methyl-3-[[(2R)-2-(phenylcarbamoylamino)propanoyl]amino]phenyl]butanamide N-[2-methyl-3-[[(2R)-2-(phenylca…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	6.64	-17.11	4	7	0	99	382.464	7	↓ MOL2 SDF SMILES Flexibase

62462829

Analogs

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Popular Name: 2-[(2-chloro-4-methoxy-phenyl)carbamoyl-methyl-amino]-N-(3-chlorophenyl)acetamide 2-[(2-chloro-4-methoxy-phenyl)ca…

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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)	4.18	7.32	-16.77	2	6	0	71	382.247	5	↓ MOL2 SDF SMILES Flexibase

62463657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-methoxy-phenyl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide 2-[(2-chloro-4-methoxy-phenyl)ca…

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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)	3.63	4.42	-10.1	3	6	0	79	387.745	5	↓ MOL2 SDF SMILES Flexibase

62463669

Analogs

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Popular Name: 2-[(2-chloro-4-methoxy-phenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide 2-[(2-chloro-4-methoxy-phenyl)ca…

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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)	3.54	6.47	-9.81	3	6	0	79	375.856	5	↓ MOL2 SDF SMILES Flexibase

12854408

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[(3,4-dipropoxyphenyl)carbamoylamino]acetamide N-(3-chloro-4-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)	5.08	8.03	-14.21	3	7	0	89	433.936	10	↓ MOL2 SDF SMILES Flexibase

62527651

Analogs

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Popular Name: (2R)-N-(3-isopropylphenyl)-N-methyl-2-(phenylcarbamoylamino)propanamide (2R)-N-(3-isopropylphenyl)-N-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)	4.31	8.41	-10.87	2	5	0	61	339.439	5	↓ MOL2 SDF SMILES Flexibase

54431319

Analogs

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Popular Name: 2-[4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]phenyl]-N,N-dimethyl-acetamide 2-[4-[[2-(4-chloroanilino)-2-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)	2.38	5.67	-18.88	3	7	0	91	388.855	6	↓ MOL2 SDF SMILES Flexibase

54431424

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(3-fluoro-4-methoxy-phenyl)carbamoylamino]acetamide N-(4-chlorophenyl)-2-[(3-fluoro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	4.12	-12.62	3	6	0	79	351.765	5	↓ MOL2 SDF SMILES Flexibase

54431537

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(4-isopropoxyphenyl)carbamoylamino]acetamide N-(4-chlorophenyl)-2-[(4-isoprop…

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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)	4.09	5.69	-12.1	3	6	0	79	361.829	6	↓ MOL2 SDF SMILES Flexibase

54431966

Analogs

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Popular Name: 4-chloro-3-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-methyl-benzamide 4-chloro-3-[[2-(4-chloroanilino)…

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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)	3.09	3.69	-18.29	4	7	0	99	395.246	5	↓ MOL2 SDF SMILES Flexibase

54433114

Analogs

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Popular Name: 4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-ethyl-benzamide 4-[[2-(4-chloroanilino)-2-oxo-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)	2.86	3.9	-15.37	4	7	0	99	374.828	6	↓ MOL2 SDF SMILES Flexibase

54439003

Analogs

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Popular Name: 2-chloro-5-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-methyl-benzamide 2-chloro-5-[[2-(4-chloroanilino)…

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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)	3.09	3.57	-16.9	4	7	0	99	395.246	5	↓ MOL2 SDF SMILES Flexibase

54441853

Analogs

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Popular Name: 4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-isopropyl-benzamide 4-[[2-(4-chloroanilino)-2-oxo-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)	3.16	4.74	-15.39	4	7	0	99	388.855	6	↓ MOL2 SDF SMILES Flexibase

54442052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-ethyl-3-methyl-benzamide 4-[[2-(4-chloroanilino)-2-oxo-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)	3.24	4.78	-15.39	4	7	0	99	388.855	6	↓ MOL2 SDF SMILES Flexibase

54442340

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(3-ethoxyphenyl)carbamoylamino]acetamide N-(4-chlorophenyl)-2-[(3-ethoxyp…

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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)	3.70	4.97	-11.58	3	6	0	79	347.802	6	↓ MOL2 SDF SMILES Flexibase

54443249

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(4-ethoxy-2-methyl-phenyl)carbamoylamino]acetamide N-(4-chlorophenyl)-2-[(4-ethoxy-…

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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)	4.10	5.89	-11.68	3	6	0	79	361.829	6	↓ MOL2 SDF SMILES Flexibase

54443860

Analogs

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Popular Name: N-allyl-4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]benzamide N-allyl-4-[[2-(4-chloroanilino)-…

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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)	3.13	4.46	-15.06	4	7	0	99	386.839	7	↓ MOL2 SDF SMILES Flexibase

54444272

Analogs

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Popular Name: 4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-propyl-benzamide 4-[[2-(4-chloroanilino)-2-oxo-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

54446418

Analogs

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Popular Name: 2-[(5-acetamido-2-chloro-phenyl)carbamoylamino]-N-(4-chlorophenyl)acetamide 2-[(5-acetamido-2-chloro-phenyl)…

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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)	3.12	4.33	-14.62	4	7	0	99	395.246	5	↓ MOL2 SDF SMILES Flexibase

54446635

Analogs

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Popular Name: 2-chloro-4-[[2-(4-chloroanilino)-2-oxo-ethyl]carbamoylamino]-N-methyl-benzamide 2-chloro-4-[[2-(4-chloroanilino)…

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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)	3.09	3.59	-19.95	4	7	0	99	395.246	5	↓ MOL2 SDF SMILES Flexibase

54447426

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(3,5-difluoro-4-methoxy-phenyl)carbamoylamino]acetamide N-(4-chlorophenyl)-2-[(3,5-diflu…

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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)	3.53	4.29	-12.79	3	6	0	79	369.755	5	↓ MOL2 SDF SMILES Flexibase

56694202

Analogs

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Popular Name: 4-[[(2-anilino-2-oxo-ethyl)-methyl-carbamoyl]amino]-2-chloro-N-methyl-benzamide 4-[[(2-anilino-2-oxo-ethyl)-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	5.69	-26.09	3	7	0	91	374.828	5	↓ MOL2 SDF SMILES Flexibase

56722680

Analogs

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Popular Name: 2-[[4-(dimethylamino)-3,5-difluoro-phenyl]carbamoylamino]-N-phenyl-acetamide 2-[[4-(dimethylamino)-3,5-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)	2.90	5.3	-12.12	3	6	0	73	348.353	5	↓ MOL2 SDF SMILES Flexibase

56739352

Analogs

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Popular Name: 2-[(3-allyloxyphenyl)carbamoylamino]-N-(3-ethynylphenyl)acetamide 2-[(3-allyloxyphenyl)carbamoylam…

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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	6.23	-14.6	3	6	0	79	349.39	7	↓ MOL2 SDF SMILES Flexibase

56747041

Analogs

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Popular Name: 2-[methyl-[(2-methyl-4-propoxy-phenyl)carbamoyl]amino]-N-(2,4,6-trimethylphenyl)acetamide 2-[methyl-[(2-methyl-4-propoxy-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)	4.44	11.16	-16.36	2	6	0	71	397.519	7	↓ MOL2 SDF SMILES Flexibase

56750285

Analogs

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Popular Name: 2-[(2-butoxyphenyl)carbamoyl-methyl-amino]-N-phenyl-acetamide 2-[(2-butoxyphenyl)carbamoyl-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)	4.31	8.79	-15.8	2	6	0	71	355.438	8	↓ MOL2 SDF SMILES Flexibase

56750313

Analogs

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Popular Name: 2-[(2-butoxyphenyl)carbamoyl-methyl-amino]-N-(2,4,6-trimethylphenyl)acetamide 2-[(2-butoxyphenyl)carbamoyl-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)	4.57	11.18	-15.29	2	6	0	71	397.519	8	↓ MOL2 SDF SMILES Flexibase

56758616

Analogs

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Popular Name: 2-[methyl-[[4-[(1R)-1-methylpropoxy]phenyl]carbamoyl]amino]-N-(2,4,6-trimethylphenyl)acetamide 2-[methyl-[[4-[(1R)-1-methylprop…

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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	10.94	-16.43	2	6	0	71	397.519	7	↓ MOL2 SDF SMILES Flexibase

56758617

Analogs

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Popular Name: 2-[methyl-[[4-[(1S)-1-methylpropoxy]phenyl]carbamoyl]amino]-N-(2,4,6-trimethylphenyl)acetamide 2-[methyl-[[4-[(1S)-1-methylprop…

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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	10.92	-17.34	2	6	0	71	397.519	7	↓ MOL2 SDF SMILES Flexibase

56772425

Analogs

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Popular Name: 2-[(3-allyloxyphenyl)carbamoyl-methyl-amino]-N-(3-chlorophenyl)acetamide 2-[(3-allyloxyphenyl)carbamoyl-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)	4.19	8.22	-22.71	2	6	0	71	373.84	7	↓ MOL2 SDF SMILES Flexibase

68875703

Analogs

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Popular Name: (2R)-3-methyl-N-(2-methyl-5-nitro-phenyl)-2-(phenylcarbamoylamino)butanamide (2R)-3-methyl-N-(2-methyl-5-nitr…

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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)	3.69	8.13	-15.98	3	8	0	116	370.409	6	↓ MOL2 SDF SMILES Flexibase

68875706

Analogs

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Popular Name: (2S)-3-methyl-N-(2-methyl-5-nitro-phenyl)-2-(phenylcarbamoylamino)butanamide (2S)-3-methyl-N-(2-methyl-5-nitr…

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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)	3.69	7.82	-16.15	3	8	0	116	370.409	6	↓ MOL2 SDF SMILES Flexibase

58344895

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]acetamide N-(2,5-dichlorophenyl)-2-[[2-(tr…

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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)	4.82	5.31	-8.34	3	6	0	79	422.19	6	↓ MOL2 SDF SMILES Flexibase

58535291

Analogs

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Popular Name: (2R)-N-[3-(3-cyanopropoxy)phenyl]-2-(phenylcarbamoylamino)propanamide (2R)-N-[3-(3-cyanopropoxy)phenyl…

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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)	2.34	6.61	-20.7	3	7	0	103	366.421	8	↓ MOL2 SDF SMILES Flexibase

14239039

Analogs

14239041
34932151
34932152

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Popular Name: (2R)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (2R)-2-(phenylcarbamoylamino)-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)	3.47	6.11	-11.77	3	5	0	70	351.328	5	↓ MOL2 SDF SMILES Flexibase

14239041

Analogs

34932151
34932152
14239039

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Popular Name: (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (2S)-2-(phenylcarbamoylamino)-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)	3.47	6.11	-11.68	3	5	0	70	351.328	5	↓ MOL2 SDF SMILES Flexibase

52494865

Analogs

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Popular Name: 2-[(5-bromo-2-methoxy-phenyl)carbamoyl-methyl-amino]-N-phenyl-acetamide 2-[(5-bromo-2-methoxy-phenyl)car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	6.93	-17.46	2	6	0	71	392.253	5	↓ MOL2 SDF SMILES Flexibase

69050273

Analogs

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Popular Name: (2S)-N-[4-(difluoromethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide (2S)-N-[4-(difluoromethoxy)pheny…

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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)	3.19	4.66	-14.96	3	6	0	79	349.337	6	↓ MOL2 SDF SMILES Flexibase

69050276

Analogs

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Popular Name: (2R)-N-[4-(difluoromethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide (2R)-N-[4-(difluoromethoxy)pheny…

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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)	3.19	4.65	-14.44	3	6	0	79	349.337	6	↓ MOL2 SDF SMILES Flexibase

69057022

Analogs

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Popular Name: (2S)-N-(3-chloro-2-fluoro-phenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide (2S)-N-(3-chloro-2-fluoro-phenyl…

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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)	4.10	6.91	-8.3	3	5	0	70	363.82	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 3505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<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', {
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