Compounds

ALA5094952

Name:
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetShow More⌵

Mol. Formula:
C21H21N3O6S

M.W.:
443.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
109.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5094918

Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3Show More⌵

Mol. Formula:
C26H29N3O7S

M.W.:
527.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
108.85

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5094749

Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3Show More⌵

Mol. Formula:
C23H24N2O6S

M.W.:
456.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
96.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5094678

Name:
N-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolShow More⌵

Mol. Formula:
C23H25N3O7S2

M.W.:
519.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
122.32

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5094550

Name:
3-(cyclopentylmethylamino)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-Show More⌵

Mol. Formula:
C29H35N3O5S

M.W.:
537.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5094541

Name:
N-[[(3R)-1-[(2S)-2-hydroxy-2-phenyl-acetyl]pyrrolidin-3-yl]methyl]-2,3-dihyShow More⌵

Mol. Formula:
C21H24N2O6S

M.W.:
432.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
105.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5094485

Name:
[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridiShow More⌵

Mol. Formula:
C23H22N2O3

M.W.:
374.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
54.82

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5094476

Name:
(2S)-1-(5-chroman-7-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)Show More⌵

Mol. Formula:
C23H24N2O5S

M.W.:
440.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
87.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5094457

Name:
2-cyclohexyl-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahShow More⌵

Mol. Formula:
C24H33N3O5S

M.W.:
475.61

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5093538

Name:
(2S)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonimidoyl)-1,3,4,6-tetrahydrShow More⌵

Mol. Formula:
C22H23N3O5S

M.W.:
441.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
103.16

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5093527

Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3Show More⌵

Mol. Formula:
C26H30FN3O5S

M.W.:
515.61

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5093513

Name:
[2-(3-fluoro-4-oxazol-2-yl-phenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridinShow More⌵

Mol. Formula:
C27H26FN5O4S

M.W.:
535.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
111.80

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5093431

Name:
2-(azetidin-3-yloxy)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,Show More⌵

Mol. Formula:
C25H27N3O6S

M.W.:
497.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
97.41

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5093412

Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3Show More⌵

Mol. Formula:
C27H32N4O5S2

M.W.:
556.71

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
85.79

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5093224

Name:
(3-chlorophenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-dihydropShow More⌵

Mol. Formula:
C22H19ClN2O5S

M.W.:
458.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
88.96

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5093145

Name:
1-[5-(1,3-benzothiazol-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrolShow More⌵

Mol. Formula:
C25H28N4O5S2

M.W.:
528.66

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
103.28

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5093097

Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3Show More⌵

Mol. Formula:
C24H27N3O5S

M.W.:
469.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
88.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5093019

Name:
isoindolin-4-yl-[2-(4-oxazol-2-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pShow More⌵

Mol. Formula:
C25H22N4O4S

M.W.:
474.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
108.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5092636

Name:
2-hydroxy-1-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-1,3,4,6Show More⌵

Mol. Formula:
C28H35N5O5S

M.W.:
553.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
96.87

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5092051

Name:
2-[3-(cyclobutoxy)-4-methyl-phenyl]-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsShow More⌵

Mol. Formula:
C29H35N3O6S

M.W.:
553.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
97.41

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS