ZINC 12

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	3.68	-10.46	2	5	0	60	352.184	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.39	4.44	-44.89	1	5	-1	63	351.176	4	↓ MOL2 SDF SMILES Flexibase

20000977

Analogs

19913350

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Popular Name: 2,2-difluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine 2,2-difluoro-N-[(3-methoxyphenyl…

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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)	3.74	5.5	-7.47	1	4	0	40	293.269	4	↓ MOL2 SDF SMILES Flexibase

20002275

Analogs

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Popular Name: 2,2-difluoro-N-(p-tolylmethyl)-1,3-benzodioxol-5-amine 2,2-difluoro-N-(p-tolylmethyl)-1…

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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	6.85	-5.86	1	3	0	30	277.27	3	↓ MOL2 SDF SMILES Flexibase

20006383

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-difluoro-1,3-benzodioxol-5-amine N-[(1R)-1-(4-bromophenyl)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)	5.08	7.53	-7.17	1	3	0	30	356.166	3	↓ MOL2 SDF SMILES Flexibase

20006386

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2,2-difluoro-1,3-benzodioxol-5-amine N-[(1S)-1-(4-bromophenyl)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)	5.08	7.53	-7.19	1	3	0	30	356.166	3	↓ MOL2 SDF SMILES Flexibase

12537646

Analogs

12537647

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Popular Name: [(S)-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-(m-tolyl)methyl]phosphonic [(S)-[(2,2-difluoro-1,3-benzodio…

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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)	3.05	4.13	-41.83	2	6	-1	91	356.241	4	↓ MOL2 SDF SMILES Flexibase

12537647

Analogs

12537646

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Popular Name: [(R)-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-(m-tolyl)methyl]phosphonic [(R)-[(2,2-difluoro-1,3-benzodio…

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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)	3.05	4.13	-45.97	2	6	-1	91	356.241	4	↓ MOL2 SDF SMILES Flexibase

36969614

Analogs

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Popular Name: 2-[(1R)-1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[(6-chloro-1,3-benzodi…

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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	5	-6.04	2	4	0	51	305.761	3	↓ MOL2 SDF SMILES Flexibase

36969616

Analogs

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Popular Name: 2-[(1S)-1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]-5-methyl-phenol 2-[(1S)-1-[(6-chloro-1,3-benzodi…

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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	5.01	-6.56	2	4	0	51	305.761	3	↓ MOL2 SDF SMILES Flexibase

36969626

Analogs

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Popular Name: 2-[[(6-chloro-1,3-benzodioxol-5-yl)amino]methyl]-4-methoxy-phenol 2-[[(6-chloro-1,3-benzodioxol-5-…

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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	2.8	-7.59	2	5	0	60	307.733	4	↓ MOL2 SDF SMILES Flexibase

36969647

Analogs

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Popular Name: 6-chloro-N-[(3-nitrophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(3-nitrophenyl)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)	3.63	7.05	-10.44	1	6	0	76	306.705	4	↓ MOL2 SDF SMILES Flexibase

36969649

Analogs

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Popular Name: 6-chloro-N-[(2-nitrophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2-nitrophenyl)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)	3.60	7.04	-10.93	1	6	0	76	306.705	4	↓ MOL2 SDF SMILES Flexibase

36969668

Analogs

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Popular Name: 6-chloro-N-[(4-methylsulfanylphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(4-methylsulfanylphe…

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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)	4.12	7.36	-5.93	1	3	0	30	307.802	4	↓ MOL2 SDF SMILES Flexibase

36969676

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1S)-1-(3-chloro-4-f…

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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)	5.02	7.64	-6.44	1	3	0	30	328.17	3	↓ MOL2 SDF SMILES Flexibase

36969678

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1R)-1-(3-chloro-4-f…

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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)	5.02	7.63	-6.4	1	3	0	30	328.17	3	↓ MOL2 SDF SMILES Flexibase

36969682

Analogs

43389278

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Popular Name: 6-chloro-N-[(2,5-difluorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2,5-difluorophenyl)…

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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)	3.95	6.44	-5.74	1	3	0	30	297.688	3	↓ MOL2 SDF SMILES Flexibase

36969708

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-phenylbutyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1S)-1-phenylbutyl]-…

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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)	5.31	8.16	-4.56	1	3	0	30	303.789	5	↓ MOL2 SDF SMILES Flexibase

36969710

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-phenylbutyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1R)-1-phenylbutyl]-…

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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)	5.31	8.83	-4.63	1	3	0	30	303.789	5	↓ MOL2 SDF SMILES Flexibase

36969712

Analogs

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Popular Name: 6-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2,3-dichlorophenyl)…

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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)	4.95	7.24	-6.5	1	3	0	30	330.598	3	↓ MOL2 SDF SMILES Flexibase

36969716

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)propyl]-6-chloro-1,3-benzodioxol-5-amine N-[(1S)-1-(4-bromophenyl)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)	5.56	8.05	-5.07	1	3	0	30	368.658	4	↓ MOL2 SDF SMILES Flexibase

36969718

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)propyl]-6-chloro-1,3-benzodioxol-5-amine N-[(1R)-1-(4-bromophenyl)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)	5.56	8.68	-5.19	1	3	0	30	368.658	4	↓ MOL2 SDF SMILES Flexibase

36969720

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1R)-1-(2,5-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)	5.07	8.3	-4.99	1	3	0	30	303.789	3	↓ MOL2 SDF SMILES Flexibase

36969722

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1S)-1-(2,5-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)	5.07	8.24	-5.01	1	3	0	30	303.789	3	↓ MOL2 SDF SMILES Flexibase

36969724

Analogs

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Popular Name: 6-chloro-N-[(2,4-dimethylphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2,4-dimethylphenyl)…

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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)	4.51	7.72	-4.69	1	3	0	30	289.762	3	↓ MOL2 SDF SMILES Flexibase

36969726

Analogs

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Popular Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-6-chloro-1,3-benzodioxol-5-amine N-[(5-bromo-2-fluoro-phenyl)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)	4.59	6.98	-5.26	1	3	0	30	358.594	3	↓ MOL2 SDF SMILES Flexibase

36969728

Analogs

43478279

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Popular Name: 4-[[(6-chloro-1,3-benzodioxol-5-yl)amino]methyl]phenol 4-[[(6-chloro-1,3-benzodioxol-5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	3.49	-6.73	2	4	0	51	277.707	3	↓ MOL2 SDF SMILES Flexibase

36969730

Analogs

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Popular Name: 6-chloro-N-[(4-dimethylaminophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(4-dimethylaminophen…

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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)	3.79	6.74	-5.66	1	4	0	34	304.777	4	↓ MOL2 SDF SMILES Flexibase

36969732

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-6-chloro-1,3-benzodioxol-5-amine N-[(4-bromophenyl)methyl]-6-chlo…

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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)	4.50	6.96	-5.22	1	3	0	30	340.604	3	↓ MOL2 SDF SMILES Flexibase

36969734

Analogs

43478279

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Popular Name: 4-[[(6-chloro-1,3-benzodioxol-5-yl)amino]methyl]-2-methoxy-phenol 4-[[(6-chloro-1,3-benzodioxol-5-…

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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	3.46	-8.46	2	5	0	60	307.733	4	↓ MOL2 SDF SMILES Flexibase

36969736

Analogs

43389278

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Popular Name: 6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(4-fluorophenyl)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)	3.85	6.41	-5.9	1	3	0	30	279.698	3	↓ MOL2 SDF SMILES Flexibase

36969738

Analogs

43478279

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Popular Name: 6-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(4-methoxyphenyl)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)	3.75	5.63	-6.27	1	4	0	40	291.734	4	↓ MOL2 SDF SMILES Flexibase

36969740

Analogs

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Popular Name: 6-chloro-N-[(2,4-difluorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2,4-difluorophenyl)…

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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)	3.95	6.43	-6.37	1	3	0	30	297.688	3	↓ MOL2 SDF SMILES Flexibase

36969742

Analogs

43478279

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Popular Name: 6-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(3,4-dichlorophenyl)…

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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)	4.97	7.31	-6.21	1	3	0	30	330.598	3	↓ MOL2 SDF SMILES Flexibase

36969744

Analogs

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Popular Name: 6-chloro-N-[(2-ethoxyphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2-ethoxyphenyl)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)	4.07	6.6	-5.85	1	4	0	40	305.761	5	↓ MOL2 SDF SMILES Flexibase

36969746

Analogs

43478279

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Popular Name: 6-chloro-N-[(4-ethoxyphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(4-ethoxyphenyl)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)	4.12	6.57	-6.13	1	4	0	40	305.761	5	↓ MOL2 SDF SMILES Flexibase

36969748

Analogs

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Popular Name: 6-chloro-N-[(2-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2-methoxyphenyl)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	5.67	-6.01	1	4	0	40	291.734	4	↓ MOL2 SDF SMILES Flexibase

36969750

Analogs

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Popular Name: 6-chloro-N-(p-tolylmethyl)-1,3-benzodioxol-5-amine 6-chloro-N-(p-tolylmethyl)-1,3-b…

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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)	4.14	7.02	-4.77	1	3	0	30	275.735	3	↓ MOL2 SDF SMILES Flexibase

36969752

Analogs

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Popular Name: 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(4-ethylphenyl)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)	4.60	7.77	-4.57	1	3	0	30	289.762	4	↓ MOL2 SDF SMILES Flexibase

36969754

Analogs

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Popular Name: 6-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2,4,6-trimethylphen…

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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)	4.89	8.03	-4.71	1	3	0	30	303.789	3	↓ MOL2 SDF SMILES Flexibase

36969756

Analogs

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Popular Name: 6-chloro-N-[(2,6-difluorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(2,6-difluorophenyl)…

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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)	3.92	6.38	-6.26	1	3	0	30	297.688	3	↓ MOL2 SDF SMILES Flexibase

36969758

Analogs

43389278

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(3,4-difluorophenyl)…

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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)	3.95	6.46	-7.79	1	3	0	30	297.688	3	↓ MOL2 SDF SMILES Flexibase

36969760

Analogs

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Popular Name: 5-[[(6-chloro-1,3-benzodioxol-5-yl)amino]methyl]-2-methoxy-phenol 5-[[(6-chloro-1,3-benzodioxol-5-…

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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	3.47	-8.56	2	5	0	60	307.733	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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