Compounds

ALA3289070

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,14aR,14bR,16bS)-1,2,6a,6b,9,9,14a-heptametShow More⌵

Mol. Formula:
C42H57N3O3

M.W.:
651.94

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.05

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3289069

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,14aR,14bR,16bS)-1,2,6a,6b,9,9,14a-heptametShow More⌵

Mol. Formula:
C39H59N3O3

M.W.:
617.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.85

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3289068

Name:
ethyl 2-((1S,2R,4aS,6aS,6bR,8aR,14aR,14bR,16bS)-1,2,6a,6b,9,9,14a-heptamethShow More⌵

Mol. Formula:
C36H53N3O3

M.W.:
575.84

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3289067

Name:
(1S,2R,4aS,6aS,6bR,8aR,14aR,14bR,16bS)-1,2,6a,6b,9,9,14a-heptamethyl-1,2,3,Show More⌵

Mol. Formula:
C32H46N2O2

M.W.:
490.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.23

Polar Surface Area:
63.08

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3289066

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-11-cyano-1,2,6a,6b,9,9,12aShow More⌵

Mol. Formula:
C41H54N2O4

M.W.:
638.89

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.78

Polar Surface Area:
96.26

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3289065

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-11-cyano-1,2,6a,6b,9,9,12aShow More⌵

Mol. Formula:
C38H56N2O4

M.W.:
604.88

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.59

Polar Surface Area:
96.26

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3289064

Name:
ethyl 2-((1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-11-cyano-1,2,6a,6b,9,9,12a-Show More⌵

Mol. Formula:
C35H50N2O4

M.W.:
562.80

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.56

Polar Surface Area:
96.26

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3289063

Name:
(1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-11-cyano-1,2,6a,6b,9,9,12a-heptamethShow More⌵

Mol. Formula:
C31H43NO3

M.W.:
477.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
78.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3289062

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptametShow More⌵

Mol. Formula:
C41H56N2O4

M.W.:
640.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.25

Polar Surface Area:
81.43

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3289061

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptametShow More⌵

Mol. Formula:
C38H58N2O4

M.W.:
606.89

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.05

Polar Surface Area:
81.43

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3289060

Name:
ethyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethShow More⌵

Mol. Formula:
C35H52N2O4

M.W.:
564.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
81.43

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3289059

Name:
(1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethyl-1,2,3,Show More⌵

Mol. Formula:
C31H45NO3

M.W.:
479.71

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
63.33

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3289058

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-10-(4-fluorophenyl)-1,2,6aShow More⌵

Mol. Formula:
C47H60FN3O3

M.W.:
734.01

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.58

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3289057

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-10-(4-fluorophenyl)-1,2,6aShow More⌵

Mol. Formula:
C44H62FN3O3

M.W.:
700.00

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.39

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3286424

Name:
ethyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-10-(4-fluorophenyl)-1,2,6a,Show More⌵

Mol. Formula:
C41H56FN3O3

M.W.:
657.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.36

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3289056

Name:
(1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-10-(4-fluorophenyl)-1,2,6a,6b,9,9,13Show More⌵

Mol. Formula:
C37H49FN2O2

M.W.:
572.81

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
8.77

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3289055

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptametShow More⌵

Mol. Formula:
C47H61N3O3

M.W.:
716.02

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.44

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3289054

Name:
methyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptametShow More⌵

Mol. Formula:
C44H63N3O3

M.W.:
682.01

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.25

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3289053

Name:
ethyl 2-((1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethShow More⌵

Mol. Formula:
C41H57N3O3

M.W.:
639.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.22

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3289052

Name:
(1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethyl-10-pheShow More⌵

Mol. Formula:
C37H50N2O2

M.W.:
554.82

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
8.63

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS