Compounds

Type:
---

AlogP:
4.50

Polar Surface Area:
96.32

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5089202

Name:
2-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)-N-(6-(5-fluoro-Show More⌵

Mol. Formula:
C41H47FN12O7

M.W.:
838.90

3 activity values

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
230.69

HBA:
15

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5088603

Name:
2-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)-N-(10-(5-fluoroShow More⌵

Mol. Formula:
C45H55FN12O7

M.W.:
895.01

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
230.69

HBA:
15

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5087182

Name:
2-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)-N-(12-(5-fluoroShow More⌵

Mol. Formula:
C47H59FN12O7

M.W.:
923.06

4 activity values

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
230.69

HBA:
15

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5084858

Name:
N-((5-fluoro-6-(2-(2-methoxyethoxy)ethoxy)-1H-benzo[d]imidazol-2-yl)methyl)Show More⌵

Mol. Formula:
C26H31FN10O4

M.W.:
566.60

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
142.29

HBA:
13

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5082914

Name:
2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)-N-(8-((5-fluoShow More⌵

Mol. Formula:
C43H51FN12O7

M.W.:
866.96

49 activity values

3 unique targets

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
230.69

HBA:
15

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5074219

Name:
N-((5-fluoro-6-(2-(2-methoxyethoxy)ethoxy)-1H-benzo[d]imidazol-2-yl)methyl)Show More⌵

Mol. Formula:
C25H33FN8O4

M.W.:
528.59

5 activity values

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
124.47

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5073005

Name:
(S)-N-((5-fluoro-6-(2-(2-methoxyethoxy)ethoxy)-1H-benzo[d]imidazol-2-yl)metShow More⌵

Mol. Formula:
C28H39FN8O4

M.W.:
570.67

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
133.26

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4878836

Name:
3-benzyl-1-(trans-4-((5-cyano-4-(oxetan-3-ylamino)pyrimidin-2-yl)amino)cyclShow More⌵

Mol. Formula:
C30H33N11O2

M.W.:
579.67

4 activity values

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
158.80

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4876982

Name:
N-(trans-4-((5-cyano-4-(oxetan-3-yloxy)pyrimidin-2-yl)amino)cyclohexyl)-N-(Show More⌵

Mol. Formula:
C32H32N8O5

M.W.:
608.66

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
157.50

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4876744

Name:
N-(trans-4-((4-(4-chloro-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-ylShow More⌵

Mol. Formula:
C26H26ClF3N10O3

M.W.:
619.01

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
156.82

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4876690

Name:
1-(trans-4-((4-(4-chloro-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-ylShow More⌵

Mol. Formula:
C26H24ClF6N11O2

M.W.:
671.99

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
159.62

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4875844

Name:
5-(2-((trans-4-(3-ethyl-1-(5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl)ureido)cShow More⌵

Mol. Formula:
C28H30F3N11O4S

M.W.:
673.68

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
203.99

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4875725

Name:
2-ethoxy-N-(5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl)-N-(trans-4-((4-(5-sulfShow More⌵

Mol. Formula:
C29H31F3N10O5S

M.W.:
688.69

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
201.19

HBA:
13

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4875591

Name:
N-(trans-4-((4-(1-(difluoromethyl)-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyriShow More⌵

Mol. Formula:
C27H27F5N10O3

M.W.:
634.57

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
145.96

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4875110

Name:
1-((1r,4r)-4-((4-(4-chloro-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-Show More⌵

Mol. Formula:
C27H25ClF6N10O2

M.W.:
671.01

Type:
Unknown

AlogP:
5.90

Polar Surface Area:
146.73

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4874976

Name:
2-hydroxy-2-methylpropyl(5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl)(trans-4-(Show More⌵

Mol. Formula:
C29H33F3N10O4

M.W.:
642.64

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
166.19

HBA:
13

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4874365

Name:
N-(trans-4-((5-cyano-4-(4-hydroxyazepan-1-yl)pyrimidin-2-yl)amino)cyclohexyShow More⌵

Mol. Formula:
C35H39N9O4

M.W.:
649.76

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
162.51

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4874285

Name:
N-(5-(2-methoxypyrimidin-5-yl)pyridin-2-yl)-N-(trans-4-((4-(5-sulfamoylpyriShow More⌵

Mol. Formula:
C30H32F3N9O4S

M.W.:
671.71

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
179.07

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4873579

Name:
2-hydroxy-2-methylpropyl(trans-4-((4-(4-chloro-1H-pyrazol-3-yl)-5-(trifluorShow More⌵

Mol. Formula:
C28H30ClF3N10O4

M.W.:
663.06