Compounds

ALA4295252

Name:
5-((3-(5-chloro-2-methoxyphenoxy)-1-azetidinyl)sulfonyl)-1H-indazole

Mol. Formula:
C17H16ClN3O4S

M.W.:
393.85

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
84.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4295244

Name:
1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperidine

Mol. Formula:
C19H21NO5S

M.W.:
375.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
65.07

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4295222

Name:
N-benzyl-N-(2-(pyridin-2-yl)ethyl)benzo[d][1,3]dioxole-5-sulfonamide

Mol. Formula:
C21H20N2O4S

M.W.:
396.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
68.73

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4295214

Name:
(S)-1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-N-methyl-N-phenylpyrrolidine-3-carShow More⌵

Mol. Formula:
C19H20N2O5S

M.W.:
388.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4295016

Name:
(S)-2-(1-(benzo[d][1,3]dioxol-5-ylsulfonyl)piperidin-3-yl)-5-fluoro-1H-benzShow More⌵

Mol. Formula:
C19H18FN3O4S

M.W.:
403.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
84.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4294993

Name:
1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-4-benzylpiperidin-4-ol

Mol. Formula:
C19H21NO5S

M.W.:
375.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4294767

Name:
1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-4-(5-methyl-4-phenyl-4H-1,2,4-triazol-Show More⌵

Mol. Formula:
C21H22N4O4S

M.W.:
426.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
86.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4294522

Name:
(S)-1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-3-(3-fluorophenoxy)pyrrolidine

Mol. Formula:
C17H16FNO5S

M.W.:
365.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
65.07

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4294495

Name:
(S)-3-(1-(benzo[d][1,3]dioxol-5-ylsulfonyl)piperidin-2-yl)pyridine

Mol. Formula:
C17H18N2O4S

M.W.:
346.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
68.73

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4294293

Name:
(R)-1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-3-(4-fluorophenyl)pyrrolidine

Mol. Formula:
C17H16FNO4S

M.W.:
349.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
55.84

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4294231

Name:
2-(1-(benzo[d][1,3]dioxol-5-ylsulfonyl)piperidin-4-yl)-5-methyl-1H-benzo[d]Show More⌵

Mol. Formula:
C20H21N3O4S

M.W.:
399.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
84.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4294200

Name:
(R)-1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-3-(2-fluorophenyl)pyrrolidine

Mol. Formula:
C17H16FNO4S

M.W.:
349.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
55.84

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4294144

Name:
(S)-2-(benzo[d][1,3]dioxol-5-ylsulfonyl)-1-ethyl-1,2,3,4-tetrahydropyrrolo[Show More⌵

Mol. Formula:
C16H18N2O4S

M.W.:
334.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
60.77

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4294051

Name:
8-(benzo[d][1,3]dioxol-5-ylsulfonyl)-2-isopropyl-2,8-diazaspiro[4.5]decan-1Show More⌵

Mol. Formula:
C18H24N2O5S

M.W.:
380.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4294019

Name:
1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-3-(2-methoxybenzyloxy)azetidine

Mol. Formula:
C18H19NO6S

M.W.:
377.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4293857

Name:
1-(1,3-benzodioxol-5-ylsulfonyl)-3-(4-fluoro-2-methoxyphenoxy)azetidine

Mol. Formula:
C17H16FNO6S

M.W.:
381.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4293829

Name:
(S)-2-(1-(benzo[d][1,3]dioxol-5-ylsulfonyl)piperidin-2-yl)-N,N-dimethylethaShow More⌵

Mol. Formula:
C16H24N2O4S

M.W.:
340.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
59.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4293822

Name:
1-(benzo[d][1,3]dioxol-5-ylsulfonyl)-4-(2-(piperidin-1-yl)ethyl)piperazine

Mol. Formula:
C18H27N3O4S

M.W.:
381.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
62.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4293602

Name:
(S)-2-((1-(benzo[d][1,3]dioxol-5-ylsulfonyl)piperidin-3-yl)methyl)isoquinolShow More⌵

Mol. Formula:
C22H22N2O5S

M.W.:
426.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
77.84

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4293601

Name:
4-((1H-pyrazol-1-yl)methyl)-1-(benzo[d][1,3]dioxol-5-ylsulfonyl)piperidine

Mol. Formula:
C16H19N3O4S

M.W.:
349.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS