Compounds

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4555534

Name:
1-((R)-1-(2,4-dichlorophenyl)ethyl)-6-((4S,5R)-4-(
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Mol. Formula:
C28H32Cl2N6O

M.W.:
539.51

4 activity values

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
90.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4537681

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-((3
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Mol. Formula:
C25H32Cl2N6

M.W.:
487.48

1 activity values

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4093994

Name:
2,3-Dichloro-N-(1-methyl-1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C12H9Cl2N5O2S

M.W.:
358.21

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
89.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4093509

Name:
2,3-Dichloro-N-(6-(dimethylamino)-3-methoxy-1-meth
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Mol. Formula:
C15H16Cl2N6O3S

M.W.:
431.31

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
102.24

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4091069

Name:
2,3-Dichloro-N-(3-ethoxy-1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C13H11Cl2N5O3S

M.W.:
388.24

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
109.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4090166

Name:
2,3-Dichloro-N-(3-hydroxy-1H-pyrazolo[3,4-d]pyrimi
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Mol. Formula:
C11H7Cl2N5O3S

M.W.:
360.18

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
120.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4483537

Name:
(S)-1-((1S,6R)-4-(3-Cyano-1-((R)-1-(2,4-dichloroph
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Mol. Formula:
C26H27Cl2N7O

M.W.:
524.46

4 activity values

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
113.72

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4476671

Name:
1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3'-methyl-[1,4'
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Mol. Formula:
C24H30Cl2N6

M.W.:
473.45

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4475665

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4S,5R)-5-m
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Mol. Formula:
C26H28Cl2N6

M.W.:
495.46

9 activity values

3 unique targets

Type:
Unknown

AlogP:
6.28

Polar Surface Area:
70.63

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4522547

Name:
1-(1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3'-met
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Mol. Formula:
C25H32Cl2N6

M.W.:
487.48

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4522437

Name:
(4-(6-(((R)-1-(2,4-Dichlorophenyl)ethyl)amino)pyra
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Mol. Formula:
C23H27Cl2N5O

M.W.:
460.41

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
70.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4518040

Name:
3-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)
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Mol. Formula:
C27H33Cl2N7

M.W.:
526.52

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
73.87

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4089151

Name:
N-(6-Amino-3-methoxy-1-methyl-1H-pyrazolo[3,4-d]py
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Mol. Formula:
C13H12Cl2N6O3S

M.W.:
403.25

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
125.02

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4088688

Name:
2,3-Dichloro-N-(5-methoxy-1-methyl-1H-indazol-4-yl
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Mol. Formula:
C15H13Cl2N3O3S

M.W.:
386.26

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4088207

Name:
2-(4-(2,3-Dichlorophenylsulfonamido)-3-methoxy-1H-
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Mol. Formula:
C14H11Cl2N5O5S

M.W.:
432.25

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
136.30

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4649666

Name:
2-(3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-met
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Mol. Formula:
C24H31Cl2N7O2S

M.W.:
552.53

1 activity values

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
110.24

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4647188

Name:
N-(2-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl
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Mol. Formula:
C25H33Cl2N7O2S

M.W.:
566.56

6 activity values

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
96.25

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4647117

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-
Show More⌵

Mol. Formula:
C26H34Cl2N6O2S

M.W.:
565.57