Compounds

ALA5272140

Name:
5-((8-methoxy-2-methylquinolin-4-yl)amino)-N'-((2-methoxynaphthalen-1-yl)meShow More⌵

Mol. Formula:
C32H27N5O3

M.W.:
529.60

Type:
---

AlogP:
6.70

Polar Surface Area:
100.63

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5279866

Name:
N'-(pyridin-4-ylmethylene)-5-(quinolin-4-ylamino)-1H-indole-2-carbohydrazidShow More⌵

Mol. Formula:
C24H18N6O

M.W.:
406.45

Type:
---

AlogP:
4.62

Polar Surface Area:
95.06

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4877512

Name:
Di(1H-indol-3-yl)(4-(trifluoromethyl)phenyl)methylium methanesulfonate

Mol. Formula:
C25H19F3N2O3S

M.W.:
484.50

57 activity values

10 unique targets

Type:
Unknown

AlogP:
6.69

Polar Surface Area:
31.58

HBA:
---

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4867199

Name:
(1-methyl-1H-indo1-3-yl)(1H-indol-3-yl)(4-(trifluoromethyl)phenyl)methyliumShow More⌵

Mol. Formula:
C26H21F3N2O3S

M.W.:
498.53

56 activity values

11 unique targets

Type:
Unknown

AlogP:
6.70

Polar Surface Area:
20.72

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4583619

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-2-methoxy-3-hydroxy-9,13-dimetShow More⌵

Mol. Formula:
C31H44O4

M.W.:
480.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.04

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4581830

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-dimethoxy-9,13-dimethyl-24Show More⌵

Mol. Formula:
C31H44O4

M.W.:
480.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.25

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4567646

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-2-hydroxy-3-methoxy-9,13-dimetShow More⌵

Mol. Formula:
C30H42O4

M.W.:
466.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.95

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4519271

Name:
(6beta,9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-hydroxy-9,13-dimethyShow More⌵

Mol. Formula:
C30H43NO4

M.W.:
481.68

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.14

Polar Surface Area:
103.78

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4470497

Name:
(6beta,9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-dihydroxy-9,13-dimetShow More⌵

Mol. Formula:
C32H44O5

M.W.:
508.70

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
94.83

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4470378

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-3-methoxy-9,13-dimethyl-2-oxo-Show More⌵

Mol. Formula:
C31H42O4

M.W.:
478.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.87

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4463133

Name:
(6beta,9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-dihydroxy-9,13-dimetShow More⌵

Mol. Formula:
C30H41NO6

M.W.:
511.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.46

Polar Surface Area:
120.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4460932

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-2-methoxy-3-hydroxy-9,13-dimetShow More⌵

Mol. Formula:
C30H42O4

M.W.:
466.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.95

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4460863

Name:
(6beta,9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-dihydroxy-9,13-dimetShow More⌵

Mol. Formula:
C31H45O7P

M.W.:
560.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.63

Polar Surface Area:
113.29

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4459092

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-3-hydroxy-9,13-dimethyl-2-oxo-Show More⌵

Mol. Formula:
C29H37FO3

M.W.:
452.61

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.11

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4451088

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-3-ethoxy-9,13-dimethyl-2-oxo-2Show More⌵

Mol. Formula:
C32H44O4

M.W.:
492.70

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.26

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4448731

Name:
(6beta,9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-dihydroxy-6,9,13-triShow More⌵

Mol. Formula:
C30H42O4

M.W.:
466.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.20

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4446742

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-3-(2,2-difluoroethoxy)-9,13-diShow More⌵

Mol. Formula:
C32H42F2O4

M.W.:
528.68

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.51

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4442268

Name:
(9beta,13alpha,14beta,17beta,18beta,20alpha)-2-hydroxy-3-methoxy-9,13-dimetShow More⌵

Mol. Formula:
C31H44O4

M.W.:
480.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.04

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4437723

Name:
(6beta,9beta,13alpha,14beta,17beta,18beta,20alpha)-2,3-dihydroxy-9,13-dimetShow More⌵

Mol. Formula:
C33H43NO4

M.W.:
517.71

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.56

Polar Surface Area:
93.55

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4099047

Name:
Digoxigenin (3R)-N-methoxy-6-deoxy-2,4-O-dimethyl-beta-D-glucopyranoside

Mol. Formula:
C32H51NO9

M.W.:
593.76

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
127.15

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS