Compounds

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
88.19

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4549626

Name:
1-(4-((5-(2-(methylamino)pyridin-4-yl)-2-((4-morph
Show More⌵

Mol. Formula:
C30H34N8O3

M.W.:
554.66

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
120.53

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4541397

Name:
N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((
Show More⌵

Cas Number:
1575818-46-0

Mol. Formula:
C28H35F2N5O2S

M.W.:
543.68

6 activity values

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
82.49

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5169921

Name:
1-(7-isopropoxynaphthalen-1-yl)-4-ureido-1H-pyrazo
Show More⌵

Mol. Formula:
C18H19N5O3

M.W.:
353.38

Type:
---

AlogP:
2.40

Polar Surface Area:
125.26

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5090091

Name:
(R)-N-methyl-N-(2-((4aS,5aR)-5a-methyl-1,4,4a,5,5a
Show More⌵

Mol. Formula:
C25H31N5O2

M.W.:
433.56

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
86.90

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5088468

Name:
2,2-difluoro-N-methyl-N-(2-((4aS,5aR)-5a-methyl-1,
Show More⌵

Mol. Formula:
C24H27F2N5O2

M.W.:
455.51

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
86.90

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5087453

Name:
(S)-N-(2-((4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,
Show More⌵

Mol. Formula:
C25H30F2N6O2

M.W.:
484.55

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
90.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5086824

Name:
N-methyl-N-(6-methyl-2-((4aS,5aR)-5a-methyl-1,4,4a
Show More⌵

Mol. Formula:
C24H28N6O3

M.W.:
448.53

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
107.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5084598

Name:
(S)-N-methyl-N-(6-methyl-2-((4aS,5aR)-5a-methyl-1,
Show More⌵

Mol. Formula:
C25H32N6O2

M.W.:
448.57

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
90.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5083169

Name:
(R)-N-(7-fluoro-2-((4aS,5aR)-5a-methyl-1,4,4a,5,5a
Show More⌵

Mol. Formula:
C24H27FN6O3

M.W.:
466.52

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
107.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5082562

Name:
(S)-N-(6-ethyl-2-((4aS,5aR)-5a-methyl-1,4,4a,5,5a,
Show More⌵

Mol. Formula:
C26H34N6O2

M.W.:
462.60

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
90.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5080834

Name:
(R)-N-methyl-N-(6-methyl-2-((4aS,5aR)-5a-methyl-1,
Show More⌵

Mol. Formula:
C25H32N6O2

M.W.:
448.57

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
90.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5079033

Name:
(S)-N-(7-hydroxy-2-((4aS,5aR)-5a-methyl-1,4,4a,5,5
Show More⌵

Mol. Formula:
C24H30N6O3

M.W.:
450.54

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
110.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5074957

Name:
(S)-N-(7-fluoro-6-methyl-2-((4aS,5aR)-5a-methyl-1,
Show More⌵

Mol. Formula:
C25H31FN6O2

M.W.:
466.56

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
90.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4559339

Name:
4-(3-aminophenoxy)-N-(4-morpholinophenyl)-5-(pyrid
Show More⌵

Mol. Formula:
C27H25N7O2

M.W.:
479.54

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
114.21

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4540819

Name:
5-(6-(methylamino)pyrazin-2-yl)-N-(4-(4-methylpipe
Show More⌵

Mol. Formula:
C28H29N9O

M.W.:
507.60

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
107.12

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4537152

Name:
5-(2-Methylpyridin-4-yl)-N-(4-morpholinophenyl)-4-
Show More⌵

Mol. Formula:
C28H26N6O2

M.W.:
478.56

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
88.19

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4535060

Name:
5-(3-Fluoropyridin-4-yl)-N-(4-morpholinophenyl)-4-
Show More⌵

Mol. Formula:
C27H23FN6O2

M.W.:
482.52

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
88.19

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4531769

Name:
N-(4-(2-methoxyethoxy)phenyl)-5-(6-(methylamino)py
Show More⌵

Mol. Formula:
C26H25N7O3

M.W.:
483.53

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
119.10

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4526033

Name:
5-(6-(methylamino)pyridin-2-yl)-N-(4-morpholinophe
Show More⌵

Mol. Formula:
C28H27N7O2

M.W.:
493.57