ZINC 12

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ZINC Item

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11814196

Analogs

11814197

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-4-benzoyl-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one (6S)-4-benzoyl-6-methyl-1-(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)	2.53	0.71	-11.96	0	4	0	41	340.448	3	↓ MOL2 SDF SMILES Flexibase

11814197

Analogs

11814196

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-4-benzoyl-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one (6R)-4-benzoyl-6-methyl-1-(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)	2.53	1.09	-11.64	0	4	0	41	340.448	3	↓ MOL2 SDF SMILES Flexibase

11841470

Analogs

11841472

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-4-(3,5-dimethoxybenzoyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one (6R)-4-(3,5-dimethoxybenzoyl)-6-…

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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)	2.57	1.12	-13.26	0	6	0	59	400.5	5	↓ MOL2 SDF SMILES Flexibase

11841472

Analogs

11841470

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-4-(3,5-dimethoxybenzoyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one (6S)-4-(3,5-dimethoxybenzoyl)-6-…

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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)	2.57	0.6	-15.08	0	6	0	59	400.5	5	↓ MOL2 SDF SMILES Flexibase

12041533

Analogs

4406809

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-6,6-dimethyl-4-(2,4,5-trifluorobenzoyl)piperazin-2-one 1-(4-methoxyphenyl)-6,6-dimethyl…

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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	3.36	-12.45	0	5	0	50	392.377	3	↓ MOL2 SDF SMILES Flexibase

12213671

Analogs

12213673

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-1-(3-methoxyphenyl)-6-methyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one (6S)-1-(3-methoxyphenyl)-6-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)	3.02	2.45	-15.74	0	5	0	50	392.377	4	↓ MOL2 SDF SMILES Flexibase

12213673

Analogs

12213671

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one (6R)-1-(3-methoxyphenyl)-6-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)	3.02	2.9	-18.62	0	5	0	50	392.377	4	↓ MOL2 SDF SMILES Flexibase

37275668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-fluorophenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one (3R)-1-(4-fluorophenyl)-3-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)	2.27	9.48	-15.05	0	7	0	86	357.341	3	↓ MOL2 SDF SMILES Flexibase

37275670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-fluorophenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one (3S)-1-(4-fluorophenyl)-3-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)	2.27	9.31	-13.09	0	7	0	86	357.341	3	↓ MOL2 SDF SMILES Flexibase

37275673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-fluorophenyl)-4-(2-methoxybenzoyl)-3-methyl-piperazin-2-one (3R)-1-(4-fluorophenyl)-4-(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)	2.87	8.1	-13.69	0	5	0	50	342.37	3	↓ MOL2 SDF SMILES Flexibase

37275675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-fluorophenyl)-4-(2-methoxybenzoyl)-3-methyl-piperazin-2-one (3S)-1-(4-fluorophenyl)-4-(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)	2.87	8.59	-17.49	0	5	0	50	342.37	3	↓ MOL2 SDF SMILES Flexibase

37275677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-fluorophenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3S)-1-(4-fluorophenyl)-3-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)	2.73	9.26	-10.67	0	4	0	41	326.371	2	↓ MOL2 SDF SMILES Flexibase

37275680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-fluorophenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3R)-1-(4-fluorophenyl)-3-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)	2.73	9.38	-11.9	0	4	0	41	326.371	2	↓ MOL2 SDF SMILES Flexibase

37275690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-chlorobenzoyl)-1-(4-ethoxyphenyl)-3-methyl-piperazin-2-one (3R)-4-(4-chlorobenzoyl)-1-(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)	3.26	9.39	-12.58	0	5	0	50	372.852	4	↓ MOL2 SDF SMILES Flexibase

37275692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-chlorobenzoyl)-1-(4-ethoxyphenyl)-3-methyl-piperazin-2-one (3S)-4-(4-chlorobenzoyl)-1-(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)	3.26	9.29	-10.74	0	5	0	50	372.852	4	↓ MOL2 SDF SMILES Flexibase

37275731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,4-dimethylphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3S)-1-(3,4-dimethylphenyl)-3-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)	3.39	10.4	-11.2	0	4	0	41	336.435	2	↓ MOL2 SDF SMILES Flexibase

37275733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,4-dimethylphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3R)-1-(3,4-dimethylphenyl)-3-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)	3.39	10.54	-12.35	0	4	0	41	336.435	2	↓ MOL2 SDF SMILES Flexibase

37275735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(m-tolyl)piperazin-2-one (3R)-4-(4-fluorobenzoyl)-3-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)	2.73	9.4	-12.13	0	4	0	41	326.371	2	↓ MOL2 SDF SMILES Flexibase

37275737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-fluorobenzoyl)-3-methyl-1-(m-tolyl)piperazin-2-one (3S)-4-(4-fluorobenzoyl)-3-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)	2.73	9.28	-10.42	0	4	0	41	326.371	2	↓ MOL2 SDF SMILES Flexibase

37275754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-3-methyl-1-(m-tolyl)piperazin-2-one (3R)-4-benzoyl-3-methyl-1-(m-tol…

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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)	2.57	9.32	-12.36	0	4	0	41	308.381	2	↓ MOL2 SDF SMILES Flexibase

37275756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-benzoyl-3-methyl-1-(m-tolyl)piperazin-2-one (3S)-4-benzoyl-3-methyl-1-(m-tol…

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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)	2.57	9.21	-11.05	0	4	0	41	308.381	2	↓ MOL2 SDF SMILES Flexibase

37275758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-(4-methylbenzoyl)-1-(m-tolyl)piperazin-2-one (3S)-3-methyl-4-(4-methylbenzoyl…

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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)	3.02	9.87	-10.84	0	4	0	41	322.408	2	↓ MOL2 SDF SMILES Flexibase

37275760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-(4-methylbenzoyl)-1-(m-tolyl)piperazin-2-one (3R)-3-methyl-4-(4-methylbenzoyl…

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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)	3.02	10	-12.11	0	4	0	41	322.408	2	↓ MOL2 SDF SMILES Flexibase

37275770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methoxybenzoyl)-3-methyl-1-(m-tolyl)piperazin-2-one (3R)-4-(3-methoxybenzoyl)-3-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)	2.60	8.63	-13.99	0	5	0	50	338.407	3	↓ MOL2 SDF SMILES Flexibase

37275773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methoxybenzoyl)-3-methyl-1-(m-tolyl)piperazin-2-one (3S)-4-(3-methoxybenzoyl)-3-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)	2.60	8.51	-11.47	0	5	0	50	338.407	3	↓ MOL2 SDF SMILES Flexibase

37275775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(m-tolyl)-4-(4-nitrobenzoyl)piperazin-2-one (3R)-3-methyl-1-(m-tolyl)-4-(4-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)	2.53	10.04	-14.89	0	7	0	86	353.378	3	↓ MOL2 SDF SMILES Flexibase

37275777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(m-tolyl)-4-(4-nitrobenzoyl)piperazin-2-one (3S)-3-methyl-1-(m-tolyl)-4-(4-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)	2.53	9.92	-12.71	0	7	0	86	353.378	3	↓ MOL2 SDF SMILES Flexibase

37275779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-(3-methylbenzoyl)-1-(m-tolyl)piperazin-2-one (3S)-3-methyl-4-(3-methylbenzoyl…

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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	9.86	-11.07	0	4	0	41	322.408	2	↓ MOL2 SDF SMILES Flexibase

37275781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-(3-methylbenzoyl)-1-(m-tolyl)piperazin-2-one (3R)-3-methyl-4-(3-methylbenzoyl…

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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	-12.19	0	4	0	41	322.408	2	↓ MOL2 SDF SMILES Flexibase

37275796

Analogs

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Popular Name: (3R)-1-(4-ethylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (3R)-1-(4-ethylphenyl)-3-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)	3.51	10.76	-11.74	0	4	0	41	336.435	3	↓ MOL2 SDF SMILES Flexibase

37275798

Analogs

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Popular Name: (3S)-1-(4-ethylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (3S)-1-(4-ethylphenyl)-3-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)	3.51	10.66	-10.55	0	4	0	41	336.435	3	↓ MOL2 SDF SMILES Flexibase

37275808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-ethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one (3R)-1-(4-ethylphenyl)-3-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)	3.46	10.49	-11.93	0	4	0	41	336.435	3	↓ MOL2 SDF SMILES Flexibase

37275810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-ethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one (3S)-1-(4-ethylphenyl)-3-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)	3.46	10.56	-13.31	0	4	0	41	336.435	3	↓ MOL2 SDF SMILES Flexibase

37275812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-ethylphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one (3R)-1-(4-ethylphenyl)-3-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)	3.02	10.8	-14.56	0	7	0	86	367.405	4	↓ MOL2 SDF SMILES Flexibase

37275814

Analogs

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Popular Name: (3S)-1-(4-ethylphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one (3S)-1-(4-ethylphenyl)-3-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)	3.02	10.7	-12.39	0	7	0	86	367.405	4	↓ MOL2 SDF SMILES Flexibase

37275816

Analogs

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Popular Name: (3R)-1-(4-ethylphenyl)-4-(2-methoxybenzoyl)-3-methyl-piperazin-2-one (3R)-1-(4-ethylphenyl)-4-(2-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)	3.62	9.43	-14.65	0	5	0	50	352.434	4	↓ MOL2 SDF SMILES Flexibase

37275818

Analogs

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Popular Name: (3S)-1-(4-ethylphenyl)-4-(2-methoxybenzoyl)-3-methyl-piperazin-2-one (3S)-1-(4-ethylphenyl)-4-(2-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)	3.62	9.94	-17.53	0	5	0	50	352.434	4	↓ MOL2 SDF SMILES Flexibase

37275820

Analogs

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Popular Name: (3R)-1-(4-ethylphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3R)-1-(4-ethylphenyl)-3-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)	3.48	10.75	-11.91	0	4	0	41	336.435	3	↓ MOL2 SDF SMILES Flexibase

37275822

Analogs

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Popular Name: (3S)-1-(4-ethylphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3S)-1-(4-ethylphenyl)-3-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)	3.48	10.65	-10.47	0	4	0	41	336.435	3	↓ MOL2 SDF SMILES Flexibase

37275832

Analogs

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Popular Name: (3R)-1-(2-fluoro-5-methyl-phenyl)-4-(2-methoxybenzoyl)-3-methyl-piperazin-2-one (3R)-1-(2-fluoro-5-methyl-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)	3.24	9.61	-17.12	0	5	0	50	356.397	3	↓ MOL2 SDF SMILES Flexibase

37275834

Analogs

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Popular Name: (3S)-1-(2-fluoro-5-methyl-phenyl)-4-(2-methoxybenzoyl)-3-methyl-piperazin-2-one (3S)-1-(2-fluoro-5-methyl-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)	3.24	9	-20.62	0	5	0	50	356.397	3	↓ MOL2 SDF SMILES Flexibase

37275841

Analogs

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Popular Name: (3R)-1-(2-ethoxyphenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (3R)-1-(2-ethoxyphenyl)-3-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)	3.42	9.7	-13.35	0	5	0	50	406.404	5	↓ MOL2 SDF SMILES Flexibase

37275843

Analogs

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Popular Name: (3S)-1-(2-ethoxyphenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (3S)-1-(2-ethoxyphenyl)-3-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)	3.42	9.9	-12.9	0	5	0	50	406.404	5	↓ MOL2 SDF SMILES Flexibase

37275850

Analogs

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Popular Name: (3R)-1-(2-ethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3R)-1-(2-ethoxyphenyl)-3-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)	2.95	9.36	-14.45	0	5	0	50	352.434	4	↓ MOL2 SDF SMILES Flexibase

37275852

Analogs

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Popular Name: (3S)-1-(2-ethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (3S)-1-(2-ethoxyphenyl)-3-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)	2.95	9.56	-13.68	0	5	0	50	352.434	4	↓ MOL2 SDF SMILES Flexibase

37275854

Analogs

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Popular Name: (3R)-4-(4-methoxybenzoyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one (3R)-4-(4-methoxybenzoyl)-3-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)	2.16	8.71	-15.2	0	8	0	96	369.377	4	↓ MOL2 SDF SMILES Flexibase

37275858

Analogs

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Popular Name: (3S)-4-(4-methoxybenzoyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one (3S)-4-(4-methoxybenzoyl)-3-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)	2.16	8.55	-14.07	0	8	0	96	369.377	4	↓ MOL2 SDF SMILES Flexibase

37275860

Analogs

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Popular Name: (3R)-4-benzoyl-3-methyl-1-(4-nitrophenyl)piperazin-2-one (3R)-4-benzoyl-3-methyl-1-(4-nit…

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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)	2.10	9.41	-14.44	0	7	0	86	339.351	3	↓ MOL2 SDF SMILES Flexibase

37275862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-benzoyl-3-methyl-1-(4-nitrophenyl)piperazin-2-one (3S)-4-benzoyl-3-methyl-1-(4-nit…

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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)	2.10	9.24	-13.18	0	7	0	86	339.351	3	↓ MOL2 SDF SMILES Flexibase

37275864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-(4-methylbenzoyl)-1-(4-nitrophenyl)piperazin-2-one (3S)-3-methyl-4-(4-methylbenzoyl…

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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)	2.55	9.92	-12.95	0	7	0	86	353.378	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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