Compounds

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
62.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA260087

Name:
1-(2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one

Mol. Formula:
C19H16ClNO2

M.W.:
325.80

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA403703

Name:
4-((1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yloxy)methyl)benzonitrile

Mol. Formula:
C20H15ClN2O2

M.W.:
350.81

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
55.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA260368

Name:
1-(2-chlorobenzyl)-4-(naphthalen-1-ylmethoxy)pyridin-2(1H)-one

Mol. Formula:
C23H18ClNO2

M.W.:
375.86

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA261348

Name:
1-(2-chlorobenzyl)-4-(naphthalen-2-ylmethoxy)pyridin-2(1H)-one

Mol. Formula:
C23H18ClNO2

M.W.:
375.86

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA260257

Name:
1-(4-methoxybenzyl)-4-(3-(9H-carbazol-9-yl)propoxy)pyridin-2(1H)-one

Mol. Formula:
C28H26N2O3

M.W.:
438.53

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
45.39

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA408939

Name:
1-(2-chlorobenzyl)-4-(3-(9H-carbazol-9-yl)propoxy)pyridin-2(1H)-one

Mol. Formula:
C27H23ClN2O2

M.W.:
442.95

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
36.16

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA260418

Name:
4-(3-(9H-carbazol-9-yl)propoxy)-1-benzylpyridin-2(1H)-one

Mol. Formula:
C27H24N2O2

M.W.:
408.50

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
36.16

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA261638

Name:
4-(3-(1H-indol-1-yl)propoxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one

Mol. Formula:
C23H21ClN2O2

M.W.:
392.89

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
36.16

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA261637

Name:
4-(3-(1H-imidazol-1-yl)propoxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one

Mol. Formula:
C18H18ClN3O2

M.W.:
343.81

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
49.05

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA261420

Name:
4-(3-(1H-benzo[d][1,2,3]triazol-1-yl)propoxy)-1-(2-chlorobenzyl)pyridin-2(1Show More⌵

Mol. Formula:
C21H19ClN4O2

M.W.:
394.86

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
61.94

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA261109

Name:
4-((4-(benzyloxy)-2-oxopyridin-1(2H)-yl)methyl)-3-chlorobenzamide

Mol. Formula:
C20H17ClN2O3

M.W.:
368.82

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
74.32

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA407894

Name:
4-((4-(benzyloxy)-2-oxopyridin-1(2H)-yl)methyl)-3-chlorobenzonitrile

Mol. Formula:
C20H15ClN2O2

M.W.:
350.81

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
55.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA260915

Name:
4-((4-(benzyloxy)-2-oxopyridin-1(2H)-yl)methyl)-3-chlorobenzoic acid

Mol. Formula:
C20H16ClNO4

M.W.:
369.80

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
68.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA260771

Name:
1-(2-chloro-4-nitrobenzyl)-4-(benzyloxy)pyridin-2(1H)-one

Mol. Formula:
C19H15ClN2O4

M.W.:
370.79

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA260770

Name:
1-(4-amino-2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one

Mol. Formula:
C19H17ClN2O2

M.W.:
340.81

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
57.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA259486

Name:
4-(benzyloxy)-1-(prop-2-ynyl)pyridin-2(1H)-one

Mol. Formula:
C15H13NO2

M.W.:
239.27

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA259268

Name:
N-(4-((4-(benzyloxy)-2-oxopyridin-1(2H)-yl)methyl)-3-chlorophenyl)acetamide

Mol. Formula:
C21H19ClN2O3

M.W.:
382.85

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
60.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA407637

Name:
ethyl 5-((4-(benzyloxy)-2-oxopyridin-1(2H)-yl)methyl)isoxazole-3-carboxylatShow More⌵

Mol. Formula:
C19H18N2O5

M.W.:
354.36