Compounds

Type:
---

AlogP:
4.27

Polar Surface Area:
101.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5197512

Name:
(4-((4-(Benzo[b]thiophen-2-yl)-5-chloropyrimidin-2-yl)amino)phenyl)(4-(pyrrShow More⌵

Mol. Formula:
C28H28ClN5OS

M.W.:
518.09

5 activity values

Type:
---

AlogP:
6.46

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5196152

Name:
(4-((5-Methyl-4-(5-methylthiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrShow More⌵

Mol. Formula:
C26H31N5OS

M.W.:
461.64

Type:
---

AlogP:
5.27

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5205654

Name:
(4-((4-(Benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(piperazin-1-yl)mShow More⌵

Mol. Formula:
C23H21N5OS

M.W.:
415.52

Type:
---

AlogP:
4.15

Polar Surface Area:
70.15

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5205495

Name:
4-(Benzo[b]thiophen-2-yl)-N-benzylpyrimidin-2-amine

Mol. Formula:
C19H15N3S

M.W.:
317.42

Type:
---

AlogP:
4.97

Polar Surface Area:
37.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5204166

Name:
(4-((4-(1-Methyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidinShow More⌵

Mol. Formula:
C24H29N7O

M.W.:
431.54

Type:
---

AlogP:
3.32

Polar Surface Area:
79.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5203977

Name:
(4-((4-(3,4-Dichlorophenyl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidin-1-yl)Show More⌵

Mol. Formula:
C26H27Cl2N5O

M.W.:
496.44

Type:
---

AlogP:
5.89

Polar Surface Area:
61.36

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5203707

Name:
4-((4-(Benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)-N-cyclopropylbenzamide

Mol. Formula:
C22H18N4OS

M.W.:
386.48

Type:
---

AlogP:
4.99

Polar Surface Area:
66.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5203421

Name:
(4-((4-(Benzo[b]thiophen-2-yl)-5-methoxypyrimidin-2-yl)amino)phenyl)(4-(pyrShow More⌵

Mol. Formula:
C29H31N5O2S

M.W.:
513.67

Type:
---

AlogP:
5.81

Polar Surface Area:
70.59

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5202515

Name:
4-((4-(Benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)-N-(3-(4-methylpiperazin-Show More⌵

Mol. Formula:
C27H30N6OS

M.W.:
486.65

Type:
---

AlogP:
4.47

Polar Surface Area:
73.39

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5202410

Name:
4-(Benzo[b]thiophen-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine

Mol. Formula:
C18H12ClN3S

M.W.:
337.84

Type:
---

AlogP:
5.76

Polar Surface Area:
37.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5201703

Name:
(4-((4-(Benzo[b]thiophen-2-yl)-5-methylpyrimidin-2-yl)amino)phenyl)(4-(pyrrShow More⌵

Mol. Formula:
C29H31N5OS

M.W.:
497.67

5 activity values

Type:
---

AlogP:
6.11

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5208765

Name:
4-((4-(Benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)-N-(1-methylpiperidin-4-yShow More⌵

Mol. Formula:
C25H25N5OS

M.W.:
443.58

Type:
---

AlogP:
4.93

Polar Surface Area:
70.15

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5208060

Name:
4-(6-methoxybenzofuran-2-carbonyl)benzonitrile

Mol. Formula:
C17H11NO3

M.W.:
277.28

1 unique targets

Type:
---

AlogP:
3.54

Polar Surface Area:
63.23

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5207951

Name:
(4-((5-Chloro-4-(5-methylthiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrShow More⌵

Mol. Formula:
C25H28ClN5OS

M.W.:
482.05

4 activity values

Type:
---

AlogP:
5.61

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5206250

Name:
4-((4-(Benzofuran-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidin-1-yl)pipeShow More⌵

Mol. Formula:
C28H29N5O2

M.W.:
467.57

Type:
---

AlogP:
5.33

Polar Surface Area:
74.50

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5195967

Name:
4-(Benzo[b]thiophen-2-yl)-N-(4-chlorophenyl)pyrimidin-2-amine

Mol. Formula:
C18H12ClN3S

M.W.:
337.84

Type:
---

AlogP:
5.76

Polar Surface Area:
37.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5195906

Name:
4-(Benzo[b]thiophen-2-yl)-N-(4-((4-(pyrrolidin-1-yl)piperidin-1-yl)methyl)pShow More⌵

Mol. Formula:
C28H31N5S

M.W.:
469.66

5 activity values

Type:
---

AlogP:
6.16

Polar Surface Area:
44.29

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5195159

Name:
(4-((4-(Benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-methylpiperaziShow More⌵

Mol. Formula:
C24H23N5OS

M.W.:
429.55