Compounds

ALA5201528

Name:
12-O-tiglyl-13-O-(4Z)-decenoyl-7-oxo-6,7-dihydrophorbol-5-ene

Mol. Formula:
C35H48O9

M.W.:
612.76

1 activity values

1 unique targets

Type:
---

AlogP:
4.09

Polar Surface Area:
147.43

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5175917

Name:
(4Z,7Z)-Deca-4,7-dienoic acid (1aS,4R,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-Show More⌵

Mol. Formula:
C35H48O9

M.W.:
612.76

4 activity values

3 unique targets

Type:
---

AlogP:
3.95

Polar Surface Area:
147.43

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5174471

Name:
12-O-(2-methyl)butyryl-13-O-(4Z)-decenoyl-7-oxo-6,7-dihydrophorbol-5-ene

Mol. Formula:
C35H50O9

M.W.:
614.78

3 activity values

2 unique targets

Type:
---

AlogP:
4.17

Polar Surface Area:
147.43

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4591145

Name:
5-(4-Fluorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-methShow More⌵

Mol. Formula:
C16H16FN5O2S

M.W.:
361.40

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4583663

Name:
5-(3,5-Difluorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-Show More⌵

Mol. Formula:
C16H15F2N5O2S

M.W.:
379.39

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4563369

Name:
5-(4-Methylphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-methShow More⌵

Mol. Formula:
C17H19N5O2S

M.W.:
357.44

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4561298

Name:
5-(4-Chlorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-n-prShow More⌵

Mol. Formula:
C18H20ClN5O2S

M.W.:
405.91

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4548639

Name:
5-(4-Fluorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-n-prShow More⌵

Mol. Formula:
C18H20FN5O2S

M.W.:
389.46

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4547461

Name:
5-(4-Iodophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-methylShow More⌵

Mol. Formula:
C16H16IN5O2S

M.W.:
469.31

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4546866

Name:
5-(4-Methylphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-ethyShow More⌵

Mol. Formula:
C18H21N5O2S

M.W.:
371.47

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4543667

Name:
5-(3-Trifluoromethylphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-OShow More⌵

Mol. Formula:
C17H16F3N5O2S

M.W.:
411.41

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4540050

Name:
5-(4-tert-Butylphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-Show More⌵

Mol. Formula:
C20H25N5O2S

M.W.:
399.52

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4538952

Name:
5-Chloro-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-ethyl-1,2,3-thiShow More⌵

Mol. Formula:
C11H14ClN5OS

M.W.:
299.79

13 activity values

7 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
65.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4538796

Name:
5-(3-Methylphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-methShow More⌵

Mol. Formula:
C17H19N5O2S

M.W.:
357.44

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4538034

Name:
5-(4-Trifluoromethoxyphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-Show More⌵

Mol. Formula:
C17H16F3N5O3S

M.W.:
427.41

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
83.65

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4537863

Name:
5-(2-Chlorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-n-prShow More⌵

Mol. Formula:
C18H20ClN5O2S

M.W.:
405.91

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4530714

Name:
5-(2,3-Difluorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-Show More⌵

Mol. Formula:
C16H15F2N5O2S

M.W.:
379.39

13 activity values

7 unique targets

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4483389

Name:
5-(2-Chlorophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-ethyShow More⌵

Mol. Formula:
C17H18ClN5O2S

M.W.:
391.88

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
74.42

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4474750

Name:
5-Chloro-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(4-n-propyl-1,2,3-Show More⌵

Mol. Formula:
C12H16ClN5OS

M.W.:
313.81

13 activity values

7 unique targets

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
65.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4473055

Name:
5-(4-Trifluoromethoxyphenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-Show More⌵

Mol. Formula:
C18H18F3N5O3S

M.W.:
441.44

13 activity values

7 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
83.65

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS