Compounds

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2286198

Name:
6-fluoro-N-(1,1,1-trifluorobutan-2-yl)-7-(2,4,6-trifluorophenyl)pyrido[2,3-Show More⌵

Mol. Formula:
C17H11F7N4

M.W.:
404.29

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2286194

Name:
7-(3,5-dichloropyridin-2-yl)-6-methoxy-N-((R)-3-methylbutan-2-yl)pyrido[2,3Show More⌵

Mol. Formula:
C18H19Cl2N5O

M.W.:
392.29

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
72.82

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2286192

Name:
7-(2-chloro-6-fluorophenyl)-N-isobutyl-6-methoxypyrido[2,3-b]pyrazin-8-aminShow More⌵

Mol. Formula:
C18H18ClFN4O

M.W.:
360.82

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2286191

Name:
N-isobutyl-6-methoxy-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine

Mol. Formula:
C18H17F3N4O

M.W.:
362.36

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2252778

Name:
(1R,3S,4aS,8S,8aS)-7,8-bis(hydroxymethyl)-3,8a-dimethyl-4-methylene-1,2,3,4Show More⌵

Mol. Formula:
C24H30O4

M.W.:
382.50

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2252777

Name:
(1R,3S,5S,5aS,7S,9R,9aS,9bR)-1,3,5-trimethoxy-7,9a-dimethyl-6-methylene-1,3Show More⌵

Mol. Formula:
C18H28O5

M.W.:
324.42

5 activity values

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2252776

Name:
(1R,3S,5aS,7S,9R,9aR,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylene-5-oxo-1,3Show More⌵

Mol. Formula:
C26H30O6

M.W.:
438.52

5 activity values

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2252775

Name:
(1R,3S,5S,5aS,7S,9R,9aS,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylene-1,3,5,Show More⌵

Mol. Formula:
C17H26O5

M.W.:
310.39

5 activity values

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
68.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2252774

Name:
(1R,3S,5S,5aS,7S,9R,9aS,9bR)-5-hydroxy-1,3-dimethoxy-7,9a-dimethyl-6-methylShow More⌵

Mol. Formula:
C26H34O6

M.W.:
442.55

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2252772

Name:
(1R,3S,5aS,7S,9R,9aS,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylene-1,3,5,5a,Show More⌵

Mol. Formula:
C26H32O5

M.W.:
424.54

24 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2252771

Name:
(1R,4aS,6S,8R,8aS)-8-methoxy-6,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-ocShow More⌵

Mol. Formula:
C16H22O3

M.W.:
262.35

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA2252770

Name:
(1R,4aS,6S,8R,8aS)-8-hydroxy-6,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-ocShow More⌵

Mol. Formula:
C15H20O3

M.W.:
248.32

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA2252769

Name:
(1R,3S,4aS,5S,8R,8aS)-7,8-diformyl-5-hydroxy-3,8a-dimethyl-4-methylene-1,2,Show More⌵

Mol. Formula:
C24H26O5

M.W.:
394.47

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
80.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2252768

Name:
(1R,3S,4aS,5R,8R,8aS)-7,8-diformyl-5-hydroxy-3,8a-dimethyl-4-methylene-1,2,Show More⌵

Mol. Formula:
C24H26O5

M.W.:
394.47

24 activity values

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
80.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2252767

Name:
(1R,3S,4aS,8R,8aS)-7,8-diformyl-3,8a-dimethyl-4-methylene-1,2,3,4,4a,5,8,8aShow More⌵

Mol. Formula:
C24H26O4

M.W.:
378.47

16 activity values