ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

53559628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-chloro-3-methyl-phenoxy)propyl]cyclopentanamine N-[(2S)-2-(4-chloro-3-methyl-phe…

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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)	4.60	8.52	-39.44	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

53559630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-chloro-3-methyl-phenoxy)propyl]cyclopentanamine N-[(2R)-2-(4-chloro-3-methyl-phe…

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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)	4.60	8.55	-39.6	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

53560367

Analogs

41410547

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclopentanamine N-[2-(2,4,6-trichlorophenoxy)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)	5.07	8.6	-35.06	2	2	1	26	309.644	5	↓ MOL2 SDF SMILES Flexibase

53562389

Analogs

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Popular Name: N-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanamine N-[(2S)-2-[4-(trifluoromethyl)ph…

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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	8.42	-41.42	2	2	1	26	288.333	6	↓ MOL2 SDF SMILES Flexibase

53562392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanamine N-[(2R)-2-[4-(trifluoromethyl)ph…

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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	8.4	-41.38	2	2	1	26	288.333	6	↓ MOL2 SDF SMILES Flexibase

53562777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[2-[(E)-prop-1-enyl]phenoxy]propyl]cyclopentanamine N-[(2S)-2-[2-[(E)-prop-1-enyl]ph…

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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	9.44	-37.41	2	2	1	26	260.401	6	↓ MOL2 SDF SMILES Flexibase

53562779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[2-[(E)-prop-1-enyl]phenoxy]propyl]cyclopentanamine N-[(2R)-2-[2-[(E)-prop-1-enyl]ph…

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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	9.48	-37.59	2	2	1	26	260.401	6	↓ MOL2 SDF SMILES Flexibase

53562860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-[(E)-prop-1-enyl]phenoxy]ethyl]cyclopentanamine N-[2-[2-[(E)-prop-1-enyl]phenoxy…

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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)	4.05	8.85	-38.77	2	2	1	26	246.374	6	↓ MOL2 SDF SMILES Flexibase

53563310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[2-(trifluoromethyl)phenoxy]propyl]cyclopentanamine N-[(2S)-2-[2-(trifluoromethyl)ph…

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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)	4.39	8.51	-37.87	2	2	1	26	288.333	6	↓ MOL2 SDF SMILES Flexibase

53563313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[2-(trifluoromethyl)phenoxy]propyl]cyclopentanamine N-[(2R)-2-[2-(trifluoromethyl)ph…

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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)	4.39	8.53	-38.58	2	2	1	26	288.333	6	↓ MOL2 SDF SMILES Flexibase

53563396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentanamine N-[2-[2-(trifluoromethyl)phenoxy…

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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)	4.03	7.91	-39.44	2	2	1	26	274.306	6	↓ MOL2 SDF SMILES Flexibase

53563648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,4-difluorophenoxy)propyl]cyclopentanamine N-[(2S)-2-(2,4-difluorophenoxy)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	7.55	-40.56	2	2	1	26	256.316	5	↓ MOL2 SDF SMILES Flexibase

53563651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,4-difluorophenoxy)propyl]cyclopentanamine N-[(2R)-2-(2,4-difluorophenoxy)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	7.58	-41.09	2	2	1	26	256.316	5	↓ MOL2 SDF SMILES Flexibase

53563767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-tert-butyl-4-methoxy-phenoxy)ethyl]cyclopentanamine N-[2-(2-tert-butyl-4-methoxy-phe…

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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)	4.87	8.82	-42.62	2	3	1	35	292.443	7	↓ MOL2 SDF SMILES Flexibase

53563976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chloro-2,6-dimethyl-phenoxy)ethyl]cyclopentanamine N-[2-(4-chloro-2,6-dimethyl-phen…

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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)	4.61	8.75	-40.83	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

53564187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-bromo-4-fluoro-phenoxy)propyl]cyclopentanamine N-[(2S)-2-(2-bromo-4-fluoro-phen…

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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	8.15	-40.21	2	2	1	26	317.222	5	↓ MOL2 SDF SMILES Flexibase

53564191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-bromo-4-fluoro-phenoxy)propyl]cyclopentanamine N-[(2R)-2-(2-bromo-4-fluoro-phen…

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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	8.18	-40.68	2	2	1	26	317.222	5	↓ MOL2 SDF SMILES Flexibase

53564268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-bromo-4-fluoro-phenoxy)ethyl]cyclopentanamine N-[2-(2-bromo-4-fluoro-phenoxy)e…

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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)	4.08	7.55	-41.88	2	2	1	26	303.195	5	↓ MOL2 SDF SMILES Flexibase

53564455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethoxyphenoxy)propyl]cyclopentanamine N-[(2S)-2-(4-ethoxyphenoxy)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)	3.98	7.62	-38.9	2	3	1	35	264.389	7	↓ MOL2 SDF SMILES Flexibase

53564457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-ethoxyphenoxy)propyl]cyclopentanamine N-[(2R)-2-(4-ethoxyphenoxy)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)	3.98	7.61	-38.62	2	3	1	35	264.389	7	↓ MOL2 SDF SMILES Flexibase

53564538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,5-dichlorophenoxy)propyl]cyclopentanamine N-[(2S)-2-(2,5-dichlorophenoxy)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)	4.83	8.48	-37.33	2	2	1	26	289.226	5	↓ MOL2 SDF SMILES Flexibase

53564540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,5-dichlorophenoxy)propyl]cyclopentanamine N-[(2R)-2-(2,5-dichlorophenoxy)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)	4.83	8.52	-37.68	2	2	1	26	289.226	5	↓ MOL2 SDF SMILES Flexibase

53564672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,4-dimethylphenoxy)propyl]cyclopentanamine N-[(2S)-2-(2,4-dimethylphenoxy)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)	4.37	8.83	-37.09	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53564674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,4-dimethylphenoxy)propyl]cyclopentanamine N-[(2R)-2-(2,4-dimethylphenoxy)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)	4.37	8.86	-37.15	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53564800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopentanamine, N-[2-[4-(1-methylethyl)phenoxy]propyl]- cyclopentanamine, N-[2-[4-(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)	5.05	9.34	-36.38	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

53564802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopentanamine, N-[2-[4-(1-methylethyl)phenoxy]propyl]- cyclopentanamine, N-[2-[4-(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)	5.05	9.33	-36.29	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

53564932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3-isopropylphenoxy)propyl]cyclopentanamine N-[(2S)-2-(3-isopropylphenoxy)pr…

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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)	5.03	9.32	-36.44	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

53564934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3-isopropylphenoxy)propyl]cyclopentanamine N-[(2R)-2-(3-isopropylphenoxy)pr…

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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)	5.03	9.36	-36.81	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

53565146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-ethoxyphenoxy)propyl]cyclopentanamine N-[(2S)-2-(2-ethoxyphenoxy)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)	3.53	8.2	-36.14	2	3	1	35	264.389	7	↓ MOL2 SDF SMILES Flexibase

53565147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-ethoxyphenoxy)propyl]cyclopentanamine N-[(2R)-2-(2-ethoxyphenoxy)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)	3.53	8.24	-36.55	2	3	1	35	264.389	7	↓ MOL2 SDF SMILES Flexibase

53565444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,3-dimethylphenoxy)propyl]cyclopentanamine N-[(2S)-2-(2,3-dimethylphenoxy)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)	4.34	8.71	-36.96	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53565446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,3-dimethylphenoxy)propyl]cyclopentanamine N-[(2R)-2-(2,3-dimethylphenoxy)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)	4.34	8.71	-37.12	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53565624

Analogs

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Popular Name: N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopentanamine N-[(2S)-2-(3-methoxyphenoxy)prop…

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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)	3.58	6.71	-37.4	2	3	1	35	250.362	6	↓ MOL2 SDF SMILES Flexibase

53565625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3-methoxyphenoxy)propyl]cyclopentanamine N-[(2R)-2-(3-methoxyphenoxy)prop…

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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)	3.58	6.7	-37.33	2	3	1	35	250.362	6	↓ MOL2 SDF SMILES Flexibase

53565791

Analogs

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Popular Name: cyclopentanamine, N-[2-(4-ethylphenoxy)propyl]- cyclopentanamine, N-[2-(4-ethylp…

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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)	4.46	8.85	-36.46	2	2	1	26	248.39	6	↓ MOL2 SDF SMILES Flexibase

53565793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopentanamine, N-[2-(4-ethylphenoxy)propyl]- cyclopentanamine, N-[2-(4-ethylp…

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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)	4.46	8.88	-36.7	2	2	1	26	248.39	6	↓ MOL2 SDF SMILES Flexibase

53565916

Analogs

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Popular Name: N-[(2S)-2-(2-isopropyl-5-methyl-phenoxy)propyl]cyclopentanamine N-[(2S)-2-(2-isopropyl-5-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)	4.96	10.11	-37.23	2	2	1	26	276.444	6	↓ MOL2 SDF SMILES Flexibase

53565918

Analogs

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Popular Name: N-[(2R)-2-(2-isopropyl-5-methyl-phenoxy)propyl]cyclopentanamine N-[(2R)-2-(2-isopropyl-5-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)	4.96	10.14	-37.49	2	2	1	26	276.444	6	↓ MOL2 SDF SMILES Flexibase

53566107

Analogs

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Popular Name: N-[(2S)-2-(2-fluorophenoxy)propyl]cyclopentanamine N-[(2S)-2-(2-fluorophenoxy)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)	3.66	7.48	-37.62	2	2	1	26	238.326	5	↓ MOL2 SDF SMILES Flexibase

53566108

Analogs

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Popular Name: N-[(2R)-2-(2-fluorophenoxy)propyl]cyclopentanamine N-[(2R)-2-(2-fluorophenoxy)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)	3.66	7.51	-38.1	2	2	1	26	238.326	5	↓ MOL2 SDF SMILES Flexibase

53566192

Analogs

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Popular Name: N-[(2S)-2-(4-bromophenoxy)propyl]cyclopentanamine N-[(2S)-2-(4-bromophenoxy)propyl…

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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)	4.35	8.04	-39.43	2	2	1	26	299.232	5	↓ MOL2 SDF SMILES Flexibase

53566193

Analogs

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Popular Name: N-[(2R)-2-(4-bromophenoxy)propyl]cyclopentanamine N-[(2R)-2-(4-bromophenoxy)propyl…

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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)	4.35	8.02	-39.36	2	2	1	26	299.232	5	↓ MOL2 SDF SMILES Flexibase

53566303

Analogs

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Popular Name: cyclopentanamine, N-[2-(2-chlorophenoxy)propyl]- cyclopentanamine, N-[2-(2-chloro…

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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	7.96	-36.9	2	2	1	26	254.781	5	↓ MOL2 SDF SMILES Flexibase

53566305

Analogs

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Popular Name: cyclopentanamine, N-[2-(2-chlorophenoxy)propyl]- cyclopentanamine, N-[2-(2-chloro…

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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	-37.39	2	2	1	26	254.781	5	↓ MOL2 SDF SMILES Flexibase

53566477

Analogs

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Popular Name: cyclopentanamine, N-[2-(2,5-dimethylphenoxy)propyl]- cyclopentanamine, N-[2-(2,5-dime…

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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)	4.37	8.84	-37.01	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53566478

Analogs

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Popular Name: cyclopentanamine, N-[2-(2,5-dimethylphenoxy)propyl]- cyclopentanamine, N-[2-(2,5-dime…

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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)	4.37	8.87	-37.46	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53566547

Analogs

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Popular Name: N-[(2S)-2-(3,4-dimethylphenoxy)propyl]cyclopentanamine N-[(2S)-2-(3,4-dimethylphenoxy)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)	4.37	8.64	-36.49	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53566548

Analogs

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Popular Name: N-[(2R)-2-(3,4-dimethylphenoxy)propyl]cyclopentanamine N-[(2R)-2-(3,4-dimethylphenoxy)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)	4.37	8.67	-36.75	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53566616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3,5-dimethylphenoxy)propyl]cyclopentanamine N-[(2S)-2-(3,5-dimethylphenoxy)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)	4.37	8.76	-36.65	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

53566617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3,5-dimethylphenoxy)propyl]cyclopentanamine N-[(2R)-2-(3,5-dimethylphenoxy)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)	4.37	8.78	-36.94	2	2	1	26	248.39	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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