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Suppliers, Protomers, & Similar Substances

20120918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-cyclohex-3-enyl]methylamino]-N,N-diethyl-benzamide 3-[[(1R)-1-cyclohex-3-enyl]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)	3.29	9.09	-9.11	1	3	0	32	286.419	6	↓ MOL2 SDF SMILES Flexibase

20120920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-cyclohex-3-enyl]methylamino]-N,N-diethyl-benzamide 3-[[(1S)-1-cyclohex-3-enyl]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)	3.29	9.01	-8.88	1	3	0	32	286.419	6	↓ MOL2 SDF SMILES Flexibase

20124744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-cyclohex-3-enyl]methylamino]-N-methyl-benzamide 3-[[(1R)-1-cyclohex-3-enyl]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)	2.76	5.57	-10.43	2	3	0	41	244.338	4	↓ MOL2 SDF SMILES Flexibase

20124745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-cyclohex-3-enyl]methylamino]-N-methyl-benzamide 3-[[(1S)-1-cyclohex-3-enyl]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)	2.76	5.57	-10.44	2	3	0	41	244.338	4	↓ MOL2 SDF SMILES Flexibase

20125051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-cyclohex-3-enyl]methylamino]benzamide 3-[[(1R)-1-cyclohex-3-enyl]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)	2.39	4.05	-10.48	3	3	0	55	230.311	4	↓ MOL2 SDF SMILES Flexibase

20125052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-cyclohex-3-enyl]methylamino]benzamide 3-[[(1S)-1-cyclohex-3-enyl]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)	2.39	4.05	-10.46	3	3	0	55	230.311	4	↓ MOL2 SDF SMILES Flexibase

20126582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1R)-1-cyclohex-3-enyl]methylamino]phenoxy]acetonitrile 2-[4-[[(1R)-1-cyclohex-3-enyl]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)	3.44	7.33	-8.3	1	3	0	45	242.322	5	↓ MOL2 SDF SMILES Flexibase

20126583

Analogs

37781928
37781929

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1S)-1-cyclohex-3-enyl]methylamino]phenoxy]acetonitrile 2-[4-[[(1S)-1-cyclohex-3-enyl]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)	3.44	7.35	-8.3	1	3	0	45	242.322	5	↓ MOL2 SDF SMILES Flexibase

20126693

Analogs

37787953
37787954

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-cyclohex-3-enyl]methylamino]-2-methyl-benzenesulfonamide 5-[[(1R)-1-cyclohex-3-enyl]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)	2.67	3.08	-11.99	3	4	0	72	280.393	4	↓ MOL2 SDF SMILES Flexibase

20126694

Analogs

37787953
37787954

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-cyclohex-3-enyl]methylamino]-2-methyl-benzenesulfonamide 5-[[(1S)-1-cyclohex-3-enyl]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)	2.67	3.08	-11.92	3	4	0	72	280.393	4	↓ MOL2 SDF SMILES Flexibase

52859757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]benzonitrile 5-chloro-2-[[(1R)-cyclohex-3-en-…

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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	8.28	-5.07	1	2	0	36	246.741	3	↓ MOL2 SDF SMILES Flexibase

52859758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]benzonitrile 5-chloro-2-[[(1S)-cyclohex-3-en-…

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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	8.28	-5.07	1	2	0	36	246.741	3	↓ MOL2 SDF SMILES Flexibase

52908969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(1R)-cyclohex-3-en-1-yl]methylamino]benzonitrile 2-chloro-6-[[(1R)-cyclohex-3-en-…

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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	8.18	-6.9	1	2	0	36	246.741	3	↓ MOL2 SDF SMILES Flexibase

52908971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(1S)-cyclohex-3-en-1-yl]methylamino]benzonitrile 2-chloro-6-[[(1S)-cyclohex-3-en-…

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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	8.18	-6.89	1	2	0	36	246.741	3	↓ MOL2 SDF SMILES Flexibase

19988355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-cyclohex-3-enyl]methyl]-2-(trifluoromethoxy)aniline N-[[(1R)-1-cyclohex-3-enyl]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)	4.52	7.25	-2.63	1	2	0	21	271.282	5	↓ MOL2 SDF SMILES Flexibase

19988359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-1-cyclohex-3-enyl]methyl]-2-(trifluoromethoxy)aniline N-[[(1S)-1-cyclohex-3-enyl]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)	4.52	7.27	-2.61	1	2	0	21	271.282	5	↓ MOL2 SDF SMILES Flexibase

19988749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-cyclohex-3-enyl]methyl]-2,3-dimethyl-aniline N-[[(1R)-1-cyclohex-3-enyl]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)	4.40	8.79	-2.98	1	1	0	12	215.34	3	↓ MOL2 SDF SMILES Flexibase

19988753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-1-cyclohex-3-enyl]methyl]-2,3-dimethyl-aniline N-[[(1S)-1-cyclohex-3-enyl]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)	4.40	8.79	-2.97	1	1	0	12	215.34	3	↓ MOL2 SDF SMILES Flexibase

19988836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-cyclohex-3-enyl]methyl]-3-methylsulfanyl-aniline N-[[(1R)-1-cyclohex-3-enyl]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)	4.01	8.37	-3.68	1	1	0	12	233.38	4	↓ MOL2 SDF SMILES Flexibase

19988840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-1-cyclohex-3-enyl]methyl]-3-methylsulfanyl-aniline N-[[(1S)-1-cyclohex-3-enyl]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)	4.01	8.37	-3.67	1	1	0	12	233.38	4	↓ MOL2 SDF SMILES Flexibase

19990503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[(1R)-1-cyclohex-3-enyl]methyl]-2,5-dimethoxy-aniline 4-chloro-N-[[(1R)-1-cyclohex-3-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)	4.24	6.65	-5.1	1	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

19990506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[(1S)-1-cyclohex-3-enyl]methyl]-2,5-dimethoxy-aniline 4-chloro-N-[[(1S)-1-cyclohex-3-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)	4.24	6.64	-5.11	1	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

20004130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[[(1R)-1-cyclohex-3-enyl]methyl]aniline 2,5-dichloro-N-[[(1R)-1-cyclohex…

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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)	4.88	8.44	-1.75	1	1	0	12	256.176	3	↓ MOL2 SDF SMILES Flexibase

20004133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[[(1S)-1-cyclohex-3-enyl]methyl]aniline 2,5-dichloro-N-[[(1S)-1-cyclohex…

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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)	4.88	8.44	-1.76	1	1	0	12	256.176	3	↓ MOL2 SDF SMILES Flexibase

36138465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-6-fluoro-benzonitrile 2-[[(1R)-cyclohex-3-en-1-yl]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)	3.42	7.8	-7.72	1	2	0	36	230.286	3	↓ MOL2 SDF SMILES Flexibase

36138467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-6-fluoro-benzonitrile 2-[[(1S)-cyclohex-3-en-1-yl]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)	3.42	7.8	-7.72	1	2	0	36	230.286	3	↓ MOL2 SDF SMILES Flexibase

36335131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[[(1R)-cyclohex-3-en-1-yl]methyl]-N1,N1-dimethyl-benzene-1,4-diamine N4-[[(1R)-cyclohex-3-en-1-yl]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)	3.70	7.77	-3.11	1	2	0	15	230.355	4	↓ MOL2 SDF SMILES Flexibase

36335132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[[(1S)-cyclohex-3-en-1-yl]methyl]-N1,N1-dimethyl-benzene-1,4-diamine N4-[[(1S)-cyclohex-3-en-1-yl]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)	3.70	7.77	-3.1	1	2	0	15	230.355	4	↓ MOL2 SDF SMILES Flexibase

36970302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-nitro-aniline 5-chloro-N-[[(1R)-cyclohex-3-en-…

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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)	4.16	8.82	-4.72	1	4	0	58	266.728	4	↓ MOL2 SDF SMILES Flexibase

36970304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-nitro-aniline 5-chloro-N-[[(1S)-cyclohex-3-en-…

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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)	4.16	8.82	-4.72	1	4	0	58	266.728	4	↓ MOL2 SDF SMILES Flexibase

36970933

Analogs

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Popular Name: 2-chloro-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-nitro-aniline 2-chloro-N-[[(1R)-cyclohex-3-en-…

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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)	4.16	8.66	-6.57	1	4	0	58	266.728	4	↓ MOL2 SDF SMILES Flexibase

36970935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-nitro-aniline 2-chloro-N-[[(1S)-cyclohex-3-en-…

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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)	4.16	8.66	-6.57	1	4	0	58	266.728	4	↓ MOL2 SDF SMILES Flexibase

36971377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-nitro-aniline 4-chloro-N-[[(1R)-cyclohex-3-en-…

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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)	4.16	8.83	-6.41	1	4	0	58	266.728	4	↓ MOL2 SDF SMILES Flexibase

36971379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-nitro-aniline 4-chloro-N-[[(1S)-cyclohex-3-en-…

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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)	4.16	8.83	-6.43	1	4	0	58	266.728	4	↓ MOL2 SDF SMILES Flexibase

36971974

Analogs

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-5-(dimethylaminomethyl)-2-methoxy-aniline N-[[(1R)-cyclohex-3-en-1-yl]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)	3.38	8.68	-36.46	2	3	1	26	275.416	6	↓ MOL2 SDF SMILES Flexibase

36971976

Analogs

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Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-5-(dimethylaminomethyl)-2-methoxy-aniline N-[[(1S)-cyclohex-3-en-1-yl]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)	3.38	8.68	-36.58	2	3	1	26	275.416	6	↓ MOL2 SDF SMILES Flexibase

36972520

Analogs

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2,2,2-trifluoroethoxy)aniline N-[[(1R)-cyclohex-3-en-1-yl]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)	4.58	8.05	-4.69	1	2	0	21	285.309	6	↓ MOL2 SDF SMILES Flexibase

36972522

Analogs

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Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2,2,2-trifluoroethoxy)aniline N-[[(1S)-cyclohex-3-en-1-yl]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)	4.58	8.05	-4.7	1	2	0	21	285.309	6	↓ MOL2 SDF SMILES Flexibase

36972779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(1R)-cyclohex-3-en-1-yl]methylamino]benzonitrile 2-chloro-5-[[(1R)-cyclohex-3-en-…

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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	8.17	-5.97	1	2	0	36	246.741	3	↓ MOL2 SDF SMILES Flexibase

36972781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(1S)-cyclohex-3-en-1-yl]methylamino]benzonitrile 2-chloro-5-[[(1S)-cyclohex-3-en-…

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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	8.17	-5.95	1	2	0	36	246.741	3	↓ MOL2 SDF SMILES Flexibase

36973529

Analogs

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Popular Name: 4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(trifluoromethyl)benzonitrile 4-[[(1R)-cyclohex-3-en-1-yl]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)	4.17	8.97	-6.29	1	2	0	36	280.293	4	↓ MOL2 SDF SMILES Flexibase

36973531

Analogs

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Popular Name: 4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3-(trifluoromethyl)benzonitrile 4-[[(1S)-cyclohex-3-en-1-yl]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)	4.17	8.97	-6.29	1	2	0	36	280.293	4	↓ MOL2 SDF SMILES Flexibase

36974102

Analogs

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-propyl-aniline N-[[(1R)-cyclohex-3-en-1-yl]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)	4.85	9.67	-1.94	1	1	0	12	229.367	5	↓ MOL2 SDF SMILES Flexibase

36974104

Analogs

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Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-propyl-aniline N-[[(1S)-cyclohex-3-en-1-yl]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)	4.85	9.66	-1.91	1	1	0	12	229.367	5	↓ MOL2 SDF SMILES Flexibase

36978528

Analogs

47883542
47883545
7843217
7843218

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Popular Name: 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-methyl-benzenesulfonamide 3-[[(1R)-cyclohex-3-en-1-yl]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)	2.64	3.54	-9.24	2	4	0	58	280.393	5	↓ MOL2 SDF SMILES Flexibase

36978530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N-methyl-benzenesulfonamide 3-[[(1S)-cyclohex-3-en-1-yl]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)	2.64	3.54	-9.21	2	4	0	58	280.393	5	↓ MOL2 SDF SMILES Flexibase

37067722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(trifluoromethylsulfanyl)aniline N-[[(1R)-cyclohex-3-en-1-yl]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)	7.58	8.86	-2.63	1	1	0	12	287.35	5	↓ MOL2 SDF SMILES Flexibase

37067724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(trifluoromethylsulfanyl)aniline N-[[(1S)-cyclohex-3-en-1-yl]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)	7.58	8.86	-2.63	1	1	0	12	287.35	5	↓ MOL2 SDF SMILES Flexibase

37068084

Analogs

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Popular Name: N-[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]phenyl]propanamide N-[4-[[(1R)-cyclohex-3-en-1-yl]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)	3.65	7.08	-8.75	2	3	0	41	258.365	5	↓ MOL2 SDF SMILES Flexibase

37068087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]phenyl]propanamide N-[4-[[(1S)-cyclohex-3-en-1-yl]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)	3.65	7.08	-8.73	2	3	0	41	258.365	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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