Compounds

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
39.07

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4101958

Name:
1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(2-chloroethanone)

Mol. Formula:
C18H15Cl2NO2

M.W.:
348.23

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
39.07

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4083968

Name:
1,1'-(9-propyl-9H-carbazole-3,6-diyl)bis(2-chloroethanone)

Mol. Formula:
C19H17Cl2NO2

M.W.:
362.26

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
39.07

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4078611

Name:
1,1'-(9-butyl-9H-carbazole-3,6-diyl)bis(2-chloroethanone)

Mol. Formula:
C20H19Cl2NO2

M.W.:
376.28

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
39.07

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3604976

Name:
8-Chloro-1-cyclopropyl-6-fluoro-7-(3-(2-hydroxy-3-(2-methyl-5-nitro-1H-imidShow More⌵

Mol. Formula:
C24H26ClFN6O6

M.W.:
548.96

55 activity values

18 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
155.76

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3329261

Name:
3-(2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl)-1-(2-hydroxy-4-methylphenylShow More⌵

Mol. Formula:
C23H17BrN2O2

M.W.:
433.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
54.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3099082

Name:
(Z)-1-(2,4-Di(pyrrolidin-1-yl)phenyl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)proShow More⌵

Mol. Formula:
C25H27N5O

M.W.:
413.53

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
54.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3099074

Name:
(Z)-1-(2,4-Difluorophenyl)-3-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)propShow More⌵

Mol. Formula:
C18H13F2N3O

M.W.:
325.32

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1934728

Name:
4-(4-(Dimethylamino)phenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyrShow More⌵

Mol. Formula:
C26H21N5O2

M.W.:
435.49

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
84.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1934727

Name:
4-(3,4-Dimethoxyphenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridinShow More⌵

Mol. Formula:
C26H20N4O4

M.W.:
452.47

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
99.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1934726

Name:
4-(4-Bromophenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-6-caShow More⌵

Mol. Formula:
C24H15BrN4O2

M.W.:
471.31

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
80.90

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1934725

Name:
4-(4-Hydroxyphenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-6-Show More⌵

Mol. Formula:
C24H16N4O3

M.W.:
408.42

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
101.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1934724

Name:
4-(4-(Diethylamino)phenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyriShow More⌵

Mol. Formula:
C28H25N5O2

M.W.:
463.54

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
84.14

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1934723

Name:
1,4-Diphenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

Mol. Formula:
C24H16N4O2

M.W.:
392.42

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
80.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1934722

Name:
4-(4-Methoxyphenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-6-Show More⌵

Mol. Formula:
C25H18N4O3

M.W.:
422.44

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
90.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1934721

Name:
4-(4-Methoxyphenyl)-6-(4-nitrophenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazoloShow More⌵

Mol. Formula:
C31H20N6O3

M.W.:
524.54

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
119.76

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1934720

Name:
6-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolShow More⌵

Mol. Formula:
C31H20FN5O

M.W.:
497.53

Type:
Small molecule

AlogP:
6.84

Polar Surface Area:
76.62

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1934719

Name:
4-(4-Methoxyphenyl)-1-phenyl-3-(pyridin-3-yl)-6-p-tolyl-1H-pyrazolo[3,4-b]pShow More⌵

Mol. Formula:
C32H23N5O

M.W.:
493.57

Type:
Small molecule

AlogP:
7.01

Polar Surface Area:
76.62

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1934718

Name:
6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazolShow More⌵

Mol. Formula:
C31H20ClN5O

M.W.:
513.99

Type:
Small molecule

AlogP:
7.35

Polar Surface Area:
76.62

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1934717

Name:
4-(4-Methoxyphenyl)-1,6-diphenyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridinShow More⌵

Mol. Formula:
C31H21N5O

M.W.:
479.54