Compounds

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
86.30

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4647027

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-((S)-3-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C24H25N7OS

M.W.:
459.58

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
101.99

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

NIK inhibitor 12f

Name:
rac-4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-morpholinophenyl)-2-(thShow More⌵

Mol. Formula:
C23H22N6O2S

M.W.:
446.54

65 activity values

13 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
99.19

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4645360

Name:
Ilyoresorcy E

Mol. Formula:
C19H21ClO7

M.W.:
396.82

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
105.45

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4645354

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(4-methylpiperazin-1-yl)pheShow More⌵

Mol. Formula:
C24H25N7OS

M.W.:
459.58

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
93.20

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4644825

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(4-(ethylsulfonyl)piperazinShow More⌵

Mol. Formula:
C25H27N7O3S2

M.W.:
537.67

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
127.34

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4643621

Name:
4-(3-((2-Aminopyrimidin-4-yl)amino)-4-morpholinophenyl)-2-(thiazol-2-yl)butShow More⌵

Mol. Formula:
C21H22N6O2S

M.W.:
422.51

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
109.42

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4643436

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-((tetrahydro-2H-pyran-4-yl)Show More⌵

Mol. Formula:
C24H23N5O3S

M.W.:
461.55

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
105.18

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4643185

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(4-methyl-1,4-diazepan-1-ylShow More⌵

Mol. Formula:
C25H27N7OS

M.W.:
473.61

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
93.20

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4642561

Name:
4-(3-((1H-Pyrazolo[3,4-d]pyrimidin-4-yl)amino)-4-morpholinophenyl)-2-(thiazShow More⌵

Mol. Formula:
C22H21N7O2S

M.W.:
447.52

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
112.08

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4640754

Name:
1-(4-(2-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(3-hydroxy-3-(thiazol-2-Show More⌵

Mol. Formula:
C25H25N7O2S

M.W.:
487.59

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
110.27

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4639818

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-((2-methoxyethyl)(methyl)amShow More⌵

Mol. Formula:
C23H24N6O2S

M.W.:
448.55

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
99.19

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4639487

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(4-morpholinopiperidin-1-ylShow More⌵

Mol. Formula:
C28H31N7O2S

M.W.:
529.67

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
102.43

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4637614

Name:
Ilyoresorcy I

Mol. Formula:
C18H20O6

M.W.:
332.35

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4637368

Name:
Ilyoresorcy F

Mol. Formula:
C18H21ClO6

M.W.:
368.81

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4636048

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(piperazin1-yl)phenyl)-2-(tShow More⌵

Mol. Formula:
C23H23N7OS

M.W.:
445.55

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
101.99

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4635650

Name:
Ilyoresorcy B

Mol. Formula:
C20H23ClO6

M.W.:
394.85

8 activity values

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4634373

Name:
Ilyoresorcy C

Mol. Formula:
C20H21ClO8

M.W.:
424.83

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
129.12

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4634128

Name:
4-(3-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-(4-(cyclopropylsulfonyl)pipShow More⌵

Mol. Formula:
C26H27N7O3S2

M.W.:
549.68