Compounds

3 unique targets

Type:
---

AlogP:
5.84

Polar Surface Area:
135.01

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5203629

Name:
1-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C31H37ClN10O3

M.W.:
633.16

Type:
---

AlogP:
5.11

Polar Surface Area:
144.24

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5198527

Name:
1-(1-(4,5-dimethyl-6-(1-methyl-1H-pyrazol-5-yl)pyridazin-3-yl)piperidin-4-yShow More⌵

Mol. Formula:
C32H37F3N10O3

M.W.:
666.71

Type:
---

AlogP:
5.48

Polar Surface Area:
144.24

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5197082

Name:
1-(4-((5-chloro-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C30H33ClN12O2

M.W.:
629.13

Type:
---

AlogP:
5.00

Polar Surface Area:
152.83

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5194809

Name:
1-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)thio)phenShow More⌵

Mol. Formula:
C31H37ClN10O2S

M.W.:
649.23

3 unique targets

Type:
---

AlogP:
5.47

Polar Surface Area:
135.01

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5193213

Name:
1-(1-(4,5-dimethyl-6-(1-methyl-1H-pyrazol-5-yl)pyridazin-3-yl)piperidin-4-yShow More⌵

Mol. Formula:
C32H40N10O3

M.W.:
612.74

Type:
---

AlogP:
4.77

Polar Surface Area:
144.24

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5190231

Name:
1-(4-((5-chloro-2-((1-methyl-1H-pyrazol-3-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C30H33ClN12O2

M.W.:
629.13

Type:
---

AlogP:
5.00

Polar Surface Area:
152.83

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5188238

Name:
1-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C29H33ClN10O3

M.W.:
605.10

Type:
---

AlogP:
4.49

Polar Surface Area:
144.24

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5182673

Name:
1-(4-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C30H33ClN12O2

M.W.:
629.13

Type:
---

AlogP:
5.00

Polar Surface Area:
152.83

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5178444

Name:
1-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C31H37ClN10O3

M.W.:
633.16

3 unique targets

Type:
---

AlogP:
5.11

Polar Surface Area:
144.24

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5174758

Name:
1-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)oxy)phenyShow More⌵

Mol. Formula:
C29H33ClN10O3

M.W.:
605.10

Type:
---

AlogP:
4.49

Polar Surface Area:
144.24

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5171278

Name:
1-(4-((5-chloro-2-(isopropylamino)pyrimidin-4-yl)oxy)phenyl)-3-(1-(4,5-dimeShow More⌵

Mol. Formula:
C29H35ClN10O2

M.W.:
591.12

Type:
---

AlogP:
5.34

Polar Surface Area:
135.01

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5170628

Name:
1-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)amino)pheShow More⌵

Mol. Formula:
C31H38ClN11O2

M.W.:
632.17

Type:
---

AlogP:
5.06

Polar Surface Area:
147.04

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4877645

Name:
NA

Mol. Formula:
C64H87ClN6O7S

M.W.:
1119.95

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4877007

Name:
NA

Mol. Formula:
C72H103ClN6O11S

M.W.:
1296.17

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4876948

Name:
NA

Mol. Formula:
C54H71Cl2N5O8S

M.W.:
1021.16

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4876538

Name:
NA

Mol. Formula:
C68H91ClN6O9S

M.W.:
1204.03

3 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4875874

Name:
NA

Mol. Formula:
C68H95ClN6O8S

M.W.:
1192.06

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4875436

Name:
NA

Mol. Formula:
C27H46O3

M.W.:
418.66

Type:
Unknown

AlogP:
5.62

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4873360

Name:
NA

Mol. Formula:
C72H107Cl2N5O17S

M.W.:
1417.64