Compounds

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
42.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4860639

Name:
1-(3-(4-(1H-imidazol-1-yl)phenyl)-5-(4-(dimethylam
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Mol. Formula:
C24H25N5O

M.W.:
399.50

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
53.73

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4860311

Name:
4-(1-(cyclopropylsulfonyl)-3-(4-(4-methylpiperazin
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Mol. Formula:
C25H33N5O2S

M.W.:
467.64

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
59.46

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4860224

Name:
4-(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-1-(4-(trifl
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Mol. Formula:
C26H23F3N6O2S

M.W.:
540.57

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
83.69

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4857919

Name:
4-(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-4,5-dihydro
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Mol. Formula:
C19H20N6

M.W.:
332.41

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
58.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4857587

Name:
4-(1-(4-fluorophenylsulfonyl)-3-(4-(4-methylpipera
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Mol. Formula:
C28H32FN5O2S

M.W.:
521.66

7 activity values

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
59.46

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4857225

Name:
1-(5-(4-(dimethylamino)phenyl)-3-(4-(4-methylpiper
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Mol. Formula:
C30H35N5O

M.W.:
481.64

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
42.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4856441

Name:
methyl 3-(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-5-(4
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Mol. Formula:
C23H24N6O3

M.W.:
432.48

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
92.92

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4878659

Name:
(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-5-(4-(dimethy
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Mol. Formula:
C27H23F3N6O

M.W.:
504.52

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
66.62

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4878303

Name:
4-(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-1-tosyl-4,5
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Mol. Formula:
C26H26N6O2S

M.W.:
486.60

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
83.69

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4878170

Name:
4-(3-(4-(1H-imidazol-1-yl)phenyl)-5-(4-(dimethylam
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Mol. Formula:
C27H24N6O2S

M.W.:
496.60

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
94.59

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4876363

Name:
(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-5-(4-(dimethy
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Mol. Formula:
C26H22Cl2N6O

M.W.:
505.41

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
66.62

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4875433

Name:
1-(5-(4-(dimethylamino)phenyl)-3-(4-(4-methylpiper
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Mol. Formula:
C24H31N5O

M.W.:
405.55

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
42.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4874792

Name:
methyl 3-(5-(4-(dimethylamino)phenyl)-3-(4-(4-meth
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Mol. Formula:
C26H33N5O3

M.W.:
463.58

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
68.69

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4849892

Name:
N,N-dimethyl-4-(3-(4-(4-methylpiperazin-1-yl)pheny
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Mol. Formula:
C23H31N5O2S

M.W.:
441.60

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
59.46

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4849032

Name:
methyl 3-(3-(4-(1H-imidazol-1-yl)phenyl)-5-(4-(dim
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Mol. Formula:
C24H25N5O3

M.W.:
431.50

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
80.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4848922

Name:
(5-(4-(dimethylamino)phenyl)-3-(4-(4-methylpiperaz
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Mol. Formula:
C30H35N5O

M.W.:
481.64

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
42.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4847141

Name:
4-(5-(4-(dimethylamino)phenyl)-3-(4-(4-methylpiper
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Mol. Formula:
C29H32N6O2S

M.W.:
528.68

12 activity values

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
83.25

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4846639

Name:
4-(3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-5-(4-(dimet
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Mol. Formula:
C26H23N7O2S

M.W.:
497.58

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
107.48

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4846556

Name:
4-(1-(4-bromophenylsulfonyl)-3-(4-(4-methylpiperaz
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Mol. Formula:
C28H32BrN5O2S

M.W.:
582.57

7 activity values