Compounds

ALA4593245

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H28BrFN2O7

M.W.:
603.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4584815

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C36H41FN4O9

M.W.:
692.74

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
149.75

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4565625

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C22H25FN2O7

M.W.:
448.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4551178

Name:
1((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,1Show More⌵

Mol. Formula:
C28H29FN2O7

M.W.:
524.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4545400

Name:
3-Benzyl-5-fluoro-1-((1-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxoShow More⌵

Mol. Formula:
C29H30FN5O5

M.W.:
547.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
113.54

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4538150

Name:
(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl(((1aR,7aS,10aS,10bShow More⌵

Mol. Formula:
C24H27FN2O9

M.W.:
506.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.26

Polar Surface Area:
146.29

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4535367

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C29H28F4N2O7

M.W.:
592.54

36 activity values

4 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4476455

Name:
5-Fluoro-3-(4-fluorobenzyl)-1-((1-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methyShow More⌵

Mol. Formula:
C29H29F2N5O5

M.W.:
565.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
113.54

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4474025

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H28ClFN2O7

M.W.:
558.99

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4472461

Name:
((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C29H35FN4O9

M.W.:
602.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.43

Polar Surface Area:
160.61

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4471565

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H28F2N2O7

M.W.:
542.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4470181

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C24H29FN2O7

M.W.:
476.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4465045

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H27F3N2O7

M.W.:
560.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4463210

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H28F2N2O7

M.W.:
542.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4463151

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C38H47FN4O9

M.W.:
722.81

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
167.33

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4461578

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H28F2N2O7

M.W.:
542.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4461332

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H27F3N2O7

M.W.:
560.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4458414

Name:
((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C28H27F3N2O7

M.W.:
560.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
109.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4457301

Name:
5-Fluoro-1-((1-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6Show More⌵

Mol. Formula:
C22H24FN5O5

M.W.:
457.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.07

Polar Surface Area:
124.40

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4447604

Name:
((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10Show More⌵

Mol. Formula:
C21H23FN2O7

M.W.:
434.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
119.99

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS