Compounds

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4787201

Name:
N-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-2-oxo-2-phenylShow More⌵

Mol. Formula:
C22H19N3O5

M.W.:
405.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
112.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4787158

Name:
pseudo-erythrosuamin

Mol. Formula:
C22H32O7

M.W.:
408.49

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
110.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4786730

Name:
Erythrofordin A

Mol. Formula:
C21H30O7

M.W.:
394.46

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
121.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4777746

Name:
Erythrofordin C

Mol. Formula:
C21H30O7

M.W.:
394.46

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
121.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4756988

Name:
Erythrofordin B

Mol. Formula:
C23H32O8

M.W.:
436.50

11 activity values

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
127.20

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4749221

Name:
N-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)-methyl)-2-phenylacetaShow More⌵

Mol. Formula:
C22H21N3O4

M.W.:
391.43

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.31

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4748085

Name:
N-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)-methyl)-2,2-Difluoro-Show More⌵

Mol. Formula:
C22H19F2N3O4

M.W.:
427.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4742231

Name:
N-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)-methyl)benzamide

Mol. Formula:
C21H19N3O4

M.W.:
377.40

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4590244

Name:
3-(3-(1-isopropyl-1H-pyrazol-4-yl)-1H-indazol-6-yl)-4-methyl-N-(3-(trifluorShow More⌵

Mol. Formula:
C28H24F3N5O

M.W.:
503.53

Type:
Unknown

AlogP:
7.25

Polar Surface Area:
75.60

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4587973

Name:
4-Methyl-3-(3-(4-(4-morpholinopiperidin-1-yl)phenyl)-1H-indazol-6-yl)-N-(3-Show More⌵

Mol. Formula:
C37H36F3N5O2

M.W.:
639.72

Type:
Unknown

AlogP:
7.78

Polar Surface Area:
73.49

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4572126

Name:
3-(3-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)-1H-indazol-6-yl)-4-methyl-N-(3-(tShow More⌵

Mol. Formula:
C27H22F3N5O2

M.W.:
505.50

Type:
Unknown

AlogP:
5.67

Polar Surface Area:
95.83

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4549057

Name:
4-Methyl-3-(3-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazol-6-yl)-N-(3-(triShow More⌵

Mol. Formula:
C33H30F3N5O

M.W.:
569.63

7 activity values

5 unique targets

Type:
Unknown

AlogP:
7.23

Polar Surface Area:
64.26

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4535267

Name:
3-(3-(1-ethyl-1H-pyrazol-4-yl)-1H-indazol-6-yl)-4-methyl-N-(3-(trifluorometShow More⌵

Mol. Formula:
C27H22F3N5O

M.W.:
489.50

Type:
Unknown

AlogP:
6.69

Polar Surface Area:
75.60

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4534609

Name:
3-(3-(1H-pyrazol-4-yl)-1H-indazol-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenShow More⌵

Mol. Formula:
C25H18F3N5O

M.W.:
461.45

Type:
Unknown

AlogP:
6.20

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

FGFR1/DDR2 inhibitor 1

Name:
3-(3-(1-cyclopropyl-1H-pyrazol-4-yl)-1H-indazol-6-yl)-4-methyl-N-(3-(trifluShow More⌵

Mol. Formula:
C28H22F3N5O

M.W.:
501.51

132 activity values

46 unique targets

Type:
Unknown

AlogP:
7.01

Polar Surface Area:
75.60

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4524697

Name:
4-Methyl-3-(3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl)-N-(3-(trifluoromeShow More⌵

Mol. Formula:
C26H20F3N5O

M.W.:
475.47

10 activity values

5 unique targets

Type:
Unknown

AlogP:
6.21

Polar Surface Area:
75.60

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4467046

Name:
4-Methyl-3-(3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-indazol-6-yl)-NShow More⌵

Mol. Formula:
C34H32F3N5O

M.W.:
583.66

Type:
Unknown

AlogP:
7.22

Polar Surface Area:
64.26

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4456231

Name:
4-Methyl-3-(3-(4-(4-methylpiperazine-1-carbonyl)phenyl)-1H-indazol-6-yl)-N-Show More⌵

Mol. Formula:
C34H30F3N5O2

M.W.:
597.64