Compounds

Type:
---

AlogP:
1.29

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5197649

Name:
5-Benzyl-1-hydroxypyridin-2(1H)-one

Mol. Formula:
C12H11NO2

M.W.:
201.22

Type:
---

AlogP:
1.68

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5205701

Name:
6-(4-(Benzyloxy)benzyl)-1-hydroxy-4-methylpyridin-2(1H)-one

Mol. Formula:
C20H19NO3

M.W.:
321.38

14 activity values

Type:
---

AlogP:
3.56

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5204943

Name:
6-Benzyl-1-hydroxy-4-phenylpyridin-2(1H)-one

Mol. Formula:
C18H15NO2

M.W.:
277.32

8 activity values

Type:
---

AlogP:
3.34

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5204349

Name:
Zanzibariolide A; (3S,5S,9R,10S,12R)-5-hydroxy-3,10,15-trimethyl-4-methylenShow More⌵

Mol. Formula:
C20H24O4

M.W.:
328.41

4 activity values

Type:
---

AlogP:
2.87

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5202708

Name:
3-Benzyl-2-hydroxyisoquinolin-1(2H)-one

Mol. Formula:
C16H13NO2

M.W.:
251.28

Type:
---

AlogP:
2.83

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA5201580

Name:
(E)-6-Benzyl-1-hydroxy-4-styrylpyridin-2(1H)-one

Mol. Formula:
C20H17NO2

M.W.:
303.36

Type:
---

AlogP:
3.85

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5201447

Name:
Zanzibariolide B; (3S,5S,8S,9S,10S,12R,14R)-5-hydroxy-8,14-epoxy-3,10,15-trShow More⌵

Mol. Formula:
C20H24O5

M.W.:
344.41

4 activity values

Type:
---

AlogP:
2.08

Polar Surface Area:
76.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5200901

Name:
5-Cyclohexyl-1-hydroxypyridin-2(1H)-one

Mol. Formula:
C11H15NO2

M.W.:
193.25

Type:
---

AlogP:
2.13

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5200310

Name:
6-(cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2(1H)-one

Mol. Formula:
C13H19NO2

M.W.:
221.30

16 activity values

Type:
---

AlogP:
2.52

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA5199084

Name:
6-(Cyclohexylmethyl)-1-hydroxy-4-phenylpyridin-2(1H)-one

Mol. Formula:
C18H21NO2

M.W.:
283.37

12 activity values

Type:
---

AlogP:
3.88

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5208523

Name:
2-Hydroxy-3-methylisoquinolin-1(2H)-one

Mol. Formula:
C10H9NO2

M.W.:
175.19

Type:
---

AlogP:
1.55

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA5207959

Name:
1-Hydroxy-4-methyl-6-(naphthalen-2-ylmethyl)pyridin-2(1H)-one

Mol. Formula:
C17H15NO2

M.W.:
265.31

Type:
---

AlogP:
3.14

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5206648

Name:
Simiarenol

Mol. Formula:
C30H50O

M.W.:
426.73

5 activity values

Type:
---

AlogP:
8.02

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5193508

Name:
6-(Cyclohexylmethyl)-1-hydroxy-4-(m-tolyl)pyridin-2(1H)-one

Mol. Formula:
C19H23NO2

M.W.:
297.40

10 activity values

Type:
---

AlogP:
4.18

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5192877

Name:
4,6-Dibenzyl-1-hydroxypyridin-2(1H)-one

Mol. Formula:
C19H17NO2

M.W.:
291.35

Type:
---

AlogP:
3.27

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5192335

Name:
(E)-6-(Cyclohexylmethyl)-1-hydroxy-4-styrylpyridin-2(1H)-one

Mol. Formula:
C20H23NO2

M.W.:
309.41

10 activity values

Type:
---

AlogP:
4.38

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5191210

Name:
6-(3-Chlorobenzyl)-1-hydroxy-4-methylpyridin-2(1H)-one

Mol. Formula:
C13H12ClNO2

M.W.:
249.70