Compounds

ALA5219950

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-11-(2-bromo-3-hydroxy-4-methoxybenzShow More⌵

Mol. Formula:
C38H51BrO6

M.W.:
683.72

1 activity values

1 unique targets

Type:
---

AlogP:
8.58

Polar Surface Area:
104.06

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5219892

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-diShow More⌵

Mol. Formula:
C36H47NO4

M.W.:
557.78

1 activity values

1 unique targets

Type:
---

AlogP:
7.71

Polar Surface Area:
84.33

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5219760

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-11-(4-(mShow More⌵

Mol. Formula:
C38H50O4S

M.W.:
602.88

1 activity values

1 unique targets

Type:
---

AlogP:
9.04

Polar Surface Area:
71.44

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5219725

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(4-methoxybenzylidene)-2,4a,6a,6b,9,Show More⌵

Mol. Formula:
C38H50O5

M.W.:
586.81

1 activity values

1 unique targets

Type:
---

AlogP:
8.32

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5219684

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(4-bromobenzylidene)-2,4a,6a,6b,9,9,Show More⌵

Mol. Formula:
C37H47BrO4

M.W.:
635.68

1 activity values

1 unique targets

Type:
---

AlogP:
9.08

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5219476

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-11-(4-ethylbenzylidene)-10-hydroxy-Show More⌵

Mol. Formula:
C39H54O4

M.W.:
586.86

1 activity values

1 unique targets

Type:
---

AlogP:
8.67

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5219383

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-benzylidene-2,4a,6a,6b,9,9,12a-heptaShow More⌵

Mol. Formula:
C37H48O4

M.W.:
556.79

1 activity values

1 unique targets

Type:
---

AlogP:
8.31

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5220859

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-11-benzylidene-10-hydroxy-2,4a,6a,6Show More⌵

Mol. Formula:
C37H50O4

M.W.:
558.80

1 activity values

1 unique targets

Type:
---

AlogP:
8.11

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5220829

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(3-ethoxybenzylidene)-2,4a,6a,6b,9,9Show More⌵

Mol. Formula:
C39H52O5

M.W.:
600.84

1 activity values

1 unique targets

Type:
---

AlogP:
8.71

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5220782

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(2-methoxybenzylidene)-2,4a,6a,6b,9,Show More⌵

Mol. Formula:
C38H50O5

M.W.:
586.81

1 activity values

1 unique targets

Type:
---

AlogP:
8.32

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5220729

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptaShow More⌵

Mol. Formula:
C38H52O4S

M.W.:
604.90

2 activity values

1 unique targets

Type:
---

AlogP:
8.83

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5220589

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(3-fluorobenzylidene)-2,4a,6a,6b,9,9Show More⌵

Mol. Formula:
C37H47FO4

M.W.:
574.78

1 activity values

1 unique targets

Type:
---

AlogP:
8.45

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5220588

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptaShow More⌵

Mol. Formula:
C36H50O4S

M.W.:
578.86

1 activity values

1 unique targets

Type:
---

AlogP:
8.48

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5220451

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptaShow More⌵

Mol. Formula:
C41H52O4

M.W.:
608.86

1 activity values

1 unique targets

Type:
---

AlogP:
9.26

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5220329

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(4-ethylbenzylidene)-2,4a,6a,6b,9,9,Show More⌵

Mol. Formula:
C39H52O4

M.W.:
584.84

1 activity values

1 unique targets

Type:
---

AlogP:
8.88

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5220307

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptaShow More⌵

Mol. Formula:
C36H49NO4

M.W.:
559.79

1 activity values

1 unique targets

Type:
---

AlogP:
7.50

Polar Surface Area:
87.49

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5220301

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-hydroxy-11-(4-methoxybenzylideneShow More⌵

Mol. Formula:
C38H52O5

M.W.:
588.83

1 activity values

1 unique targets

Type:
---

AlogP:
8.11

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5220021

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(2-bromo-5-hydroxy-4-methoxybenzylidShow More⌵

Mol. Formula:
C38H49BrO6

M.W.:
681.71

2 activity values

1 unique targets

Type:
---

AlogP:
8.79

Polar Surface Area:
100.90

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5219999

Name:
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-11-(2-fluoro-4-methoxybenzylidene)-2,4aShow More⌵

Mol. Formula:
C38H49FO5

M.W.:
604.80

1 activity values

1 unique targets

Type:
---

AlogP:
8.46

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5219993

Name:
(2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-11-(3-ethoxybenzylidene)-10-hydroxyShow More⌵

Mol. Formula:
C39H54O5

M.W.:
602.86

1 activity values

1 unique targets

Type:
---

AlogP:
8.50

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS