Compounds

ALA3984804

Name:
(R)-1-((13R,16S)-10,13-Dimethyl-17-(1S,6R)-pyridin
Show More⌵

Mol. Formula:
C27H37N3O

M.W.:
419.61

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
54.02

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3984284

Name:
(3S,8R,9S,10S,13S,14S)-3,10,13-trimethyl-17-(pyrid
Show More⌵

Mol. Formula:
C25H35NO

M.W.:
365.56

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
33.12

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3982901

Name:
(10R,13S)-10,13-dimethyl-6-phenyl-17-(pyridin-3-yl
Show More⌵

Mol. Formula:
C30H33NO

M.W.:
423.60

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
7.00

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3982662

Name:
(8R,9S,10R,13S)-10,13-dimethyl-17-(pyridin-3-yl)-6
Show More⌵

Mol. Formula:
C24H28N2O

M.W.:
360.50

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3982387

Name:
3-((5aR,5bR,7aS,10aS,10bS,12aS)-5a,7a-dimethyl-3,4
Show More⌵

Mol. Formula:
C24H33NO

M.W.:
351.53

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
22.12

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3982013

Name:
(5aR,5bS,7aS,10aS,10bS)-8-(5-methoxypyridin-3-yl)-
Show More⌵

Mol. Formula:
C25H34N2O2

M.W.:
394.56

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3981801

Name:
(8R,9S,10R,13S)-10,13-dimethyl-6-phenyl-17-(pyridi
Show More⌵

Mol. Formula:
C30H31NO

M.W.:
421.58

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.92

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3980640

Name:
(8R,9S,10R,13S,14S)-4,10,13-trimethyl-17-(pyridin-
Show More⌵

Mol. Formula:
C25H33NO

M.W.:
363.55

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
33.12

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3979173

Name:
(8R,9S,10R,13S)-6,10,13-trimethyl-17-(pyridin-3-yl
Show More⌵

Mol. Formula:
C25H29NO

M.W.:
359.51

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3978938

Name:
N-((3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyrid
Show More⌵

Mol. Formula:
C26H33F3N2O

M.W.:
446.56

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3978652

Name:
(5aR,5bS,7aS,10bR)-8-(5-methoxypyridin-3-yl)-3,5a,
Show More⌵

Mol. Formula:
C26H32N2O2

M.W.:
404.55

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3974498

Name:
(3aR,3bS,5aS,8bR)-3a,5a-dimethyl-6-(pyridin-3-yl)-
Show More⌵

Mol. Formula:
C24H27NO

M.W.:
345.49

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3974457

Name:
(8S,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-y
Show More⌵

Mol. Formula:
C26H29NO

M.W.:
371.52

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3974410

Name:
(5aR,5bS,7aS,10aS,10bR)-8-(1H-imidazol-1-yl)-5a,7a
Show More⌵

Mol. Formula:
C23H35N3O2S

M.W.:
417.62

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3974234

Name:
3-((5S,8R,9S,10S,13S,14S)-3-methoxy-10,13-dimethyl
Show More⌵

Mol. Formula:
C25H35NO

M.W.:
365.56

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
22.12

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3973178

Name:
(5aS,5bS,7aS,10bR,12aS)-5a,7a-dimethyl-8-(4-methyl
Show More⌵

Mol. Formula:
C25H32N2O

M.W.:
376.54

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3972568

Name:
(8S,9S,10R,13S,14S)-17-(5-fluoropyridin-3-yl)-10,1
Show More⌵

Mol. Formula:
C25H26FNO

M.W.:
375.49

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3976482

Name:
N-((3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyrid
Show More⌵

Mol. Formula:
C28H40N2O

M.W.:
420.64

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4286761

Name:
4-(4-(((2s,5s)-2-((1H-imidazol-1-yl)methyl)-2-(2-c
Show More⌵

Mol. Formula:
C25H28ClN3O4

M.W.:
469.97

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
57.98

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4285744

Name:
1-(4-(4-(((2r,5r)-2-((1H-imidazol-1-yl)methyl)-2-(
Show More⌵

Mol. Formula:
C27H31ClN4O4

M.W.:
511.02

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
69.06

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS